2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide

C23H27ClN2O2 — CID 4582956

IUPAC2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2c3c(c(-c4ccccc4Cl)cc2=O)CCC3)CC1
InChIInChI=1S/C23H27ClN2O2/c1-15-9-11-16(12-10-15)25-22(27)14-26-21-8-4-6-18(21)19(13-23(26)28)17-5-2-3-7-20(17)24/h2-3,5,7,13,15-16H,4,6,8-12,14H2,1H3,(H,25,27)
InChIKeyMGUFLQMDCPHHFA-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.35
Rot. Bonds4

About 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 4582956) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID4582956
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2c3c(c(-c4ccccc4Cl)cc2=O)CCC3)CC1
InChIInChI=1S/C23H27ClN2O2/c1-15-9-11-16(12-10-15)25-22(27)14-26-21-8-4-6-18(21)19(13-23(26)28)17-5-2-3-7-20(17)24/h2-3,5,7,13,15-16H,4,6,8-12,14H2,1H3,(H,25,27)
InChIKeyMGUFLQMDCPHHFA-UHFFFAOYSA-N
XLogP4.35
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486887
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide
CID 4582333
3-(2-chlorophenyl)-N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]prop-2-enamide
CID 6622220
5-[2-(2-Chloro-phenyl)-ethylamino]-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 9999260
(3S,6S)-4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3,6-diisobutyl-piperazin-2-one
CID 68158429
5-[2-(2-Chlorophenyl)ethyl]-1,4-dihydropyrazine-2,3-dione
CID 163841948
1-[1-[(2-Chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea
CID 1450077
N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide
CID 4582945
2-[4-(2-chlorophenyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4582954
2-(benzhydrylamino)-N-[(2-chlorophenyl)methyl]acetamide
CID 4783771
4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester
CID 5309247
(2E)-3-(3-Chlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-YL}-2-oxoethyl)prop-2-enamide
CID 24789433

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 4582956) is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)Cn2c3c(c(-c4ccccc4Cl)cc2=O)CCC3)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is MGUFLQMDCPHHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-15-9-11-16(12-10-15)25-22(27)14-26-21-8-4-6-18(21)19(13-23(26)28)17-5-2-3-7-20(17)24/h2-3,5,7,13,15-16H,4,6,8-12,14H2,1H3,(H,25,27).
What are the key properties of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 398.93 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 4582956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).