N-(3-bromophenyl)-N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide

Formula:C16H14N5O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3-bromophenyl)-N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide is a drug-like molecule.

MolName	N-(3-bromophenyl)-N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide
MolecularFormula	C16H14N5O3Br
Smiles	O=C(CCC(Nc(cc1)nc(N2)c1NC2=O)=O)Nc1cccc(Br)c1
InChI	InChI=1S/C16H14BrN5O3/c17-9-2-1-3-10(8-9)18-13(23)6-7-14(24)20-12-5-4-11-15(21-12)22-16(25)19-11/h1-5,8H,6-7H2,(H,18,23)(H3,19,20,21,22,24,25)
InChIK	WZLFVUMUVLIHRA-UHFFFAOYSA-N
TotalMolweight	404.223
Molweight	404.223
MonoisotopicMass	403.028001
CLogP	1.977
CLogS	-5.503
H Acceptors	8
H Donors	4
TotalSurfaceArea	263.52
Relative PSA	0.36403
PolarSurfaceArea	112.22
Druglikeness	-1.7819
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	4
Aromatic Nitrogens	1
StereoCon

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