N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C23H22N2O3 — CID 51596082

IUPACN-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-28-18-12-10-16(11-13-18)21(15-6-3-2-4-7-15)25-23(27)19-14-17-8-5-9-20(17)24-22(19)26/h2-4,6-7,10-14,21H,5,8-9H2,1H3,(H,24,26)(H,25,27)/t21-/m1/s1
InChIKeyHVPROQJCCVRAES-OAQYLSRUSA-N
MW374.44 g/mol
LogP3.39
Rot. Bonds5

About N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 51596082) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID51596082
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-28-18-12-10-16(11-13-18)21(15-6-3-2-4-7-15)25-23(27)19-14-17-8-5-9-20(17)24-22(19)26/h2-4,6-7,10-14,21H,5,8-9H2,1H3,(H,24,26)(H,25,27)/t21-/m1/s1
InChIKeyHVPROQJCCVRAES-OAQYLSRUSA-N
XLogP3.39
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560369
(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
CID 119368016
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51497914
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95232496
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51498116
N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71893668
3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid
CID 119169921
N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119529374

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 51596082) is N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is COc1ccc([C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is HVPROQJCCVRAES-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-28-18-12-10-16(11-13-18)21(15-6-3-2-4-7-15)25-23(27)19-14-17-8-5-9-20(17)24-22(19)26/h2-4,6-7,10-14,21H,5,8-9H2,1H3,(H,24,26)(H,25,27)/t21-/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 51596082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).