3-bromo-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide

Formula:C21H20N5O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-bromo-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	3-bromo-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
MolecularFormula	C21H20N5O2Br
Smiles	O=C(/C(/NC(c1cccc(Br)c1)=O)=C\c1cnccc1)NCCCn1cncc1
InChI	InChI=1S/C21H20BrN5O2/c22-18-6-1-5-17(13-18)20(28)26-19(12-16-4-2-7-23-14-16)21(29)25-8-3-10-27-11-9-24-15-27/h1-2,4-7,9,11-15H,3,8,10H2,(H,25,29)(H,26,28)
InChIK	YPOJPDVIGNKUGH-UHFFFAOYSA-N
TotalMolweight	454.327
Molweight	454.327
MonoisotopicMass	453.080036
CLogP	2.5315
CLogS	-3.09
H Acceptors	7
H Donors	2
TotalSurfaceArea	322.54
Relative PSA	0.24124
PolarSurfaceArea	88.91
Druglikeness	4.3701
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Amides	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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