N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide

Formula:C21H21N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide is a drug-like molecule.

MolNameN-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide
MolecularFormulaC21H21N3O3
SmilesO=C(c1ncccc1)N(C[C@H]1OCCC1)CC1=Cc(cccc2)c2NC1=O
InChIInChI=1S/C21H21N3O3/c25-20-16(12-15-6-1-2-8-18(15)23-20)13-24(14-17-7-5-11-27-17)21(26)19-9-3-4-10-22-19/h1-4,6,8-10,12,17H,5,7,11,13-14H2,(H,23,25)/t17-/m0/s1
InChIKGWNYDIHUBRFMHX-KRWDZBQOSA-N
TotalMolweight363.416
Molweight363.416
MonoisotopicMass363.158292
CLogP1.5342
CLogS-3.025
H Acceptors6
H Donors1
TotalSurfaceArea278.05
Relative PSA0.2232
PolarSurfaceArea71.53
Druglikeness3.6084
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48148
Fragments1
Non HAtoms27
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms7
Amides2
Aromatic Nitrogens1
StereoConthis enantiomer

Request More Details | N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments