N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

C21H26N2O3 — CID 51498116

IUPACN-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
SMILESCOc1ccccc1C[C@@H](C)NC(=O)c1cc2c([nH]c1=O)CCCCC2
InChIInChI=1S/C21H26N2O3/c1-14(12-16-9-6-7-11-19(16)26-2)22-20(24)17-13-15-8-4-3-5-10-18(15)23-21(17)25/h6-7,9,11,13-14H,3-5,8,10,12H2,1-2H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeyZHLQMTBCADMWDF-CQSZACIVSA-N
MW354.45 g/mol
LogP3.01
Rot. Bonds5

About N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide (PubChem CID 51498116) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
PubChem CID51498116
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
SMILESCOc1ccccc1C[C@@H](C)NC(=O)c1cc2c([nH]c1=O)CCCCC2
InChIInChI=1S/C21H26N2O3/c1-14(12-16-9-6-7-11-19(16)26-2)22-20(24)17-13-15-8-4-3-5-10-18(15)23-21(17)25/h6-7,9,11,13-14H,3-5,8,10,12H2,1-2H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeyZHLQMTBCADMWDF-CQSZACIVSA-N
XLogP3.01
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95232496
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51596082
3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid
CID 119169921
methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate
CID 66495211
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide
CID 51498075
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
(2R)-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 103808999
N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 60927015
5-hydroxy-N-[1-(2-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 63859035
5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide
CID 51498143
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-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide (CID 51498116) is N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide is COc1ccccc1C[C@@H](C)NC(=O)c1cc2c([nH]c1=O)CCCCC2.
What is the InChIKey of N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
The InChIKey is ZHLQMTBCADMWDF-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(12-16-9-6-7-11-19(16)26-2)22-20(24)17-13-15-8-4-3-5-10-18(15)23-21(17)25/h6-7,9,11,13-14H,3-5,8,10,12H2,1-2H3,(H,22,24)(H,23,25)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide is sourced from PubChem (CID 51498116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).