2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide

C19H21N5O — CID 95341187

IUPAC2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)[C@@H](C)n1cncn1
InChIInChI=1S/C19H21N5O/c1-13(15(3)24-12-20-11-21-24)23-19(25)17-9-10-18(22-14(17)2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,23,25)/t13-,15-/m1/s1
InChIKeyYGZUQTSLOAQVDK-UKRRQHHQSA-N
MW335.41 g/mol
LogP3.03
Rot. Bonds5

About 2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide

2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide (PubChem CID 95341187) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide
PubChem CID95341187
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)[C@@H](C)n1cncn1
InChIInChI=1S/C19H21N5O/c1-13(15(3)24-12-20-11-21-24)23-19(25)17-9-10-18(22-14(17)2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,23,25)/t13-,15-/m1/s1
InChIKeyYGZUQTSLOAQVDK-UKRRQHHQSA-N
XLogP3.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 120508416
N-(1-hydroxypropan-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78856776
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 94173055
N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 119615030
N-[1-(2-methoxyphenyl)ethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 42922646
N-(2-imidazol-1-ylphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 55597500
2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide
CID 56827245
N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 27895592
2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide
CID 119431609
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229
N-(2-amino-2-methylpropyl)-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119627957
2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533670

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide (CID 95341187) is 2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)[C@@H](C)n1cncn1.
What is the InChIKey of 2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide?
The InChIKey is YGZUQTSLOAQVDK-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(15(3)24-12-20-11-21-24)23-19(25)17-9-10-18(22-14(17)2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,23,25)/t13-,15-/m1/s1.
What are the key properties of 2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide?
2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-N-[(2R,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95341187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).