N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C16H15ClN2O2 — CID 66495293

IUPACN-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C16H15ClN2O2/c1-9-5-6-11(17)8-14(9)19-16(21)12-7-10-3-2-4-13(10)18-15(12)20/h5-8H,2-4H2,1H3,(H,18,20)(H,19,21)
InChIKeyXTHVULHZBPWLMI-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.08
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 66495293) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID66495293
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C16H15ClN2O2/c1-9-5-6-11(17)8-14(9)19-16(21)12-7-10-3-2-4-13(10)18-15(12)20/h5-8H,2-4H2,1H3,(H,18,20)(H,19,21)
InChIKeyXTHVULHZBPWLMI-UHFFFAOYSA-N
XLogP3.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66495704
N-(2,4-dichlorophenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66495696
N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 56921801
N-(5-chloro-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497756
methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate
CID 66495211
N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497391
N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33330216
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513869
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 66495293) is N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is XTHVULHZBPWLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-9-5-6-11(17)8-14(9)19-16(21)12-7-10-3-2-4-13(10)18-15(12)20/h5-8H,2-4H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 66495293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).