6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C18H19N5O2 — CID 95976774

IUPAC6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N[C@@H](C)c3nncn3C)c(=O)[nH]2)c1
InChIInChI=1S/C18H19N5O2/c1-11-5-4-6-13(9-11)15-8-7-14(18(25)21-15)17(24)20-12(2)16-22-19-10-23(16)3/h4-10,12H,1-3H3,(H,20,24)(H,21,25)/t12-/m0/s1
InChIKeyYZBGHRFMFKXIJR-LBPRGKRZSA-N
MW337.38 g/mol
LogP1.97
Rot. Bonds4

About 6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95976774) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95976774
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N[C@@H](C)c3nncn3C)c(=O)[nH]2)c1
InChIInChI=1S/C18H19N5O2/c1-11-5-4-6-13(9-11)15-8-7-14(18(25)21-15)17(24)20-12(2)16-22-19-10-23(16)3/h4-10,12H,1-3H3,(H,20,24)(H,21,25)/t12-/m0/s1
InChIKeyYZBGHRFMFKXIJR-LBPRGKRZSA-N
XLogP1.97
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757705
2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 55083285
N-[1-(1-benzofuran-2-yl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757137
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
2,3-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62659999
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197
2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95279293
2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 106501729
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoxaline-5-carboxamide
CID 131925216
5-bromo-2-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 103874904
5-amino-2-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117116
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72898651

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 95976774) is 6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cccc(-c2ccc(C(=O)N[C@@H](C)c3nncn3C)c(=O)[nH]2)c1.
What is the InChIKey of 6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YZBGHRFMFKXIJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-5-4-6-13(9-11)15-8-7-14(18(25)21-15)17(24)20-12(2)16-22-19-10-23(16)3/h4-10,12H,1-3H3,(H,20,24)(H,21,25)/t12-/m0/s1.
What are the key properties of 6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95976774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).