N-Phenylpyridin-2-amine

Introduction

CAS No. :	6631-37-4	MDL No. :	MFCD00006248
Formula :	C11H10N2	Boiling Point :	-
Linear Structure Formula :	HN(C6H5)(C5H4N)	InChI Key :	HUDSSSKDWYXKGP-UHFFFAOYSA-N
M.W :	170.21	Pubchem ID :	81130
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	53.78
TPSA :	24.92 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.39 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.79
Log Po/w (XLOGP3) :	2.75
Log Po/w (WLOGP) :	2.83
Log Po/w (MLOGP) :	2.15
Log Po/w (SILICOS-IT) :	2.24
Consensus Log Po/w :	2.35

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.18
Solubility :	0.113 mg/ml ; 0.000662 mol/l
Class :	Soluble
Log S (Ali) :	-2.93
Solubility :	0.201 mg/ml ; 0.00118 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.59
Solubility :	0.00441 mg/ml ; 0.0000259 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.96

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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