1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide

C19H20ClN5O — CID 42519718

IUPAC1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
SMILESCc1cccc(C[C@H](C)NC(=O)c2cn(Cc3ccccc3Cl)nn2)n1
InChIInChI=1S/C19H20ClN5O/c1-13-6-5-8-16(21-13)10-14(2)22-19(26)18-12-25(24-23-18)11-15-7-3-4-9-17(15)20/h3-9,12,14H,10-11H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyINCYTOAKMANHQI-AWEZNQCLSA-N
MW369.86 g/mol
LogP3.04
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide (PubChem CID 42519718) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
PubChem CID42519718
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
SMILESCc1cccc(C[C@H](C)NC(=O)c2cn(Cc3ccccc3Cl)nn2)n1
InChIInChI=1S/C19H20ClN5O/c1-13-6-5-8-16(21-13)10-14(2)22-19(26)18-12-25(24-23-18)11-15-7-3-4-9-17(15)20/h3-9,12,14H,10-11H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyINCYTOAKMANHQI-AWEZNQCLSA-N
XLogP3.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
CID 45182739
1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide
CID 42359128
1-[(2-chlorophenyl)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)triazole-4-carboxamide
CID 45211543
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
1-(naphthalen-1-ylmethyl)-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]triazole-4-carboxamide
CID 25488403
6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide
CID 61040940
ethyl (3S)-3-[[1-[(2-fluorophenyl)methyl]triazole-4-carbonyl]amino]butanoate
CID 95722583
1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide
CID 45200047
1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
CID 56905367
1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide
CID 26391382
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 42197037
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 51728766

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide (CID 42519718) is 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide is Cc1cccc(C[C@H](C)NC(=O)c2cn(Cc3ccccc3Cl)nn2)n1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
The InChIKey is INCYTOAKMANHQI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-13-6-5-8-16(21-13)10-14(2)22-19(26)18-12-25(24-23-18)11-15-7-3-4-9-17(15)20/h3-9,12,14H,10-11H2,1-2H3,(H,22,26)/t14-/m0/s1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 42519718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).