1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide

C21H19N5O2S — CID 124760245

IUPAC1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide
SMILESCn1cc(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)c(-c2cccs2)cc1=O
InChIInChI=1S/C21H19N5O2S/c1-25-13-17(16(12-20(25)27)19-8-5-11-29-19)21(28)24-18(14-26-22-9-10-23-26)15-6-3-2-4-7-15/h2-13,18H,14H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyKPABUGHIVOBHJY-SFHVURJKSA-N
MW405.48 g/mol
LogP2.88
Rot. Bonds6

About 1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide

1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 124760245) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide
PubChem CID124760245
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide
SMILESCn1cc(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)c(-c2cccs2)cc1=O
InChIInChI=1S/C21H19N5O2S/c1-25-13-17(16(12-20(25)27)19-8-5-11-29-19)21(28)24-18(14-26-22-9-10-23-26)15-6-3-2-4-7-15/h2-13,18H,14H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyKPABUGHIVOBHJY-SFHVURJKSA-N
XLogP2.88
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide
CID 121176252
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5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121176253
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 124891454
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 121176353
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 124761273
N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 45132972
N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide
CID 63755943
N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 119101653

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide (CID 124760245) is 1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide is Cn1cc(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)c(-c2cccs2)cc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is KPABUGHIVOBHJY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-25-13-17(16(12-20(25)27)19-8-5-11-29-19)21(28)24-18(14-26-22-9-10-23-26)15-6-3-2-4-7-15/h2-13,18H,14H2,1H3,(H,24,28)/t18-/m0/s1.
What are the key properties of 1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide?
1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 124760245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).