1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide

C17H16ClN5O — CID 53037091

IUPAC1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1
InChIInChI=1S/C17H16ClN5O/c1-11(2)20-17(24)15-16(12-4-3-9-19-10-12)23(22-21-15)14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,20,24)
InChIKeyAYTOCCNIKYAFOL-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide

1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide (PubChem CID 53037091) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide
PubChem CID53037091
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1
InChIInChI=1S/C17H16ClN5O/c1-11(2)20-17(24)15-16(12-4-3-9-19-10-12)23(22-21-15)14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,20,24)
InChIKeyAYTOCCNIKYAFOL-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide
CID 51894055
1-(4-chlorophenyl)-N-(3-ethoxypropyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125132
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125141
1-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53332549
1-(4-propan-2-ylphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 53489601
N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53332540
[1-(4-chlorophenyl)-5-pyridin-3-yltriazol-4-yl]-thiomorpholin-4-ylmethanone
CID 53037097
N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125169
N-benzyl-1-(4-methylsulfanylphenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125258
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125173
1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53125231
1-(4-fluorophenyl)-N-propan-2-yl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067783

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide (CID 53037091) is 1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide is CC(C)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide?
The InChIKey is AYTOCCNIKYAFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11(2)20-17(24)15-16(12-4-3-9-19-10-12)23(22-21-15)14-7-5-13(18)6-8-14/h3-11H,1-2H3,(H,20,24).
What are the key properties of 1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide?
1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 53037091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).