6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide

C19H22N2O2 — CID 98768691

IUPAC6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc([C@@H]2C[C@H]2[C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1
InChIInChI=1S/C19H22N2O2/c1-11-5-4-6-14(9-11)17-10-16(17)13(3)21-19(23)15-8-7-12(2)20-18(15)22/h4-9,13,16-17H,10H2,1-3H3,(H,20,22)(H,21,23)/t13-,16-,17-/m0/s1
InChIKeySBJKFOLZGCLTBA-JQFCIGGWSA-N
MW310.40 g/mol
LogP2.91
Rot. Bonds4

About 6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 98768691) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID98768691
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc([C@@H]2C[C@H]2[C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1
InChIInChI=1S/C19H22N2O2/c1-11-5-4-6-14(9-11)17-10-16(17)13(3)21-19(23)15-8-7-12(2)20-18(15)22/h4-9,13,16-17H,10H2,1-3H3,(H,20,22)(H,21,23)/t13-,16-,17-/m0/s1
InChIKeySBJKFOLZGCLTBA-JQFCIGGWSA-N
XLogP2.91
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide
CID 95977242
2-[2-(3-methylphenyl)cyclopropyl]propanamide
CID 67553478
N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977243
N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97005058
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
6-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976841
N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113384178
N-[(1S)-1-(furan-2-yl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976314
(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide
CID 97219077
(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide
CID 97219075
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103798972
1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea
CID 167955612

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 98768691) is 6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cccc([C@@H]2C[C@H]2[C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1.
What is the InChIKey of 6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SBJKFOLZGCLTBA-JQFCIGGWSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-11-5-4-6-14(9-11)17-10-16(17)13(3)21-19(23)15-8-7-12(2)20-18(15)22/h4-9,13,16-17H,10H2,1-3H3,(H,20,22)(H,21,23)/t13-,16-,17-/m0/s1.
What are the key properties of 6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 98768691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).