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

C19H20ClN5O — CID 45182739

IUPAC1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
SMILESCc1cccc(CC(C)NC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)n1
InChIInChI=1S/C19H20ClN5O/c1-13-4-3-5-17(21-13)10-14(2)22-19(26)18-12-25(24-23-18)11-15-6-8-16(20)9-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,22,26)
InChIKeyOKMBHIKUHMXLLE-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.04
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide (PubChem CID 45182739) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
PubChem CID45182739
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
SMILESCc1cccc(CC(C)NC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)n1
InChIInChI=1S/C19H20ClN5O/c1-13-4-3-5-17(21-13)10-14(2)22-19(26)18-12-25(24-23-18)11-15-6-8-16(20)9-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,22,26)
InChIKeyOKMBHIKUHMXLLE-UHFFFAOYSA-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-[(2-chlorophenyl)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
CID 42519718
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-[(4-chlorophenyl)methyl]-N-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 26405167
1-[(4-chlorophenyl)methyl]-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 45249810
ethyl 3-[[1-[(4-chlorophenyl)methyl]triazole-4-carbonyl]amino]hexanoate
CID 45219680
2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 118779895
1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
CID 154805457
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 51728766
1-benzyl-N-[(1S)-1-(3,4-difluorophenyl)ethyl]triazole-4-carboxamide
CID 51646685
1-[(4-chlorophenyl)methyl]-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]triazole-4-carboxamide
CID 26393289
1,6-dimethyl-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-4-oxopyridine-2-carboxamide
CID 125161516

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide (CID 45182739) is 1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide is Cc1cccc(CC(C)NC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)n1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
The InChIKey is OKMBHIKUHMXLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-13-4-3-5-17(21-13)10-14(2)22-19(26)18-12-25(24-23-18)11-15-6-8-16(20)9-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,22,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[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-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 45182739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).