4-(4-benzylpiperidin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide

Formula:C22H25N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(4-benzylpiperidin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide is a drug-like molecule.

MolName4-(4-benzylpiperidin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
MolecularFormulaC22H25N5O3
SmilesO=C(CCC(N1CCC(Cc2ccccc2)CC1)=O)Nc(cc1)nc(N2)c1NC2=O
InChIInChI=1S/C22H25N5O3/c28-19(24-18-7-6-17-21(25-18)26-22(30)23-17)8-9-20(29)27-12-10-16(11-13-27)14-15-4-2-1-3-5-15/h1-7,16H,8-14H2,(H3,23,24,25,26,28,30)
InChIKBEAXMWRIBCGOFU-UHFFFAOYSA-N
TotalMolweight407.473
Molweight407.473
MonoisotopicMass407.19574
CLogP2.6538
CLogS-5.051
H Acceptors8
H Donors3
TotalSurfaceArea311.53
Relative PSA0.28254
PolarSurfaceArea103.43
Druglikeness3.5573
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms30
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms4
Amides4
Aromatic Nitrogens1
StereoCon

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