6274-22-2|4-Amino-N-methylbenzamide

Introduction

CAS No. :	6274-22-2	MDL No. :	MFCD00665792
Formula :	C8H10N2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	XAGFYNSCWICYPA-UHFFFAOYSA-N
M.W :	150.18	Pubchem ID :	235516
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.12
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	2.0
Molar Refractivity :	43.84
TPSA :	55.12 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.9 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.23
Log Po/w (XLOGP3) :	0.44
Log Po/w (WLOGP) :	0.64
Log Po/w (MLOGP) :	0.91
Log Po/w (SILICOS-IT) :	0.65
Consensus Log Po/w :	0.77

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.32
Solubility :	7.19 mg/ml ; 0.0479 mol/l
Class :	Very soluble
Log S (Ali) :	-1.17
Solubility :	10.3 mg/ml ; 0.0683 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.41
Solubility :	0.588 mg/ml ; 0.00392 mol/l
Class :	Soluble

Medicinal Chemistry

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

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

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