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

C20H20ClN5O — CID 53037101

IUPAC1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1
InChIInChI=1S/C20H20ClN5O/c21-16-10-4-5-11-17(16)26-19(14-7-6-12-22-13-14)18(24-25-26)20(27)23-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,23,27)
InChIKeyJSHYXDHKEHUZPF-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.05
Rot. Bonds4

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

1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide (PubChem CID 53037101) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide
PubChem CID53037101
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1
InChIInChI=1S/C20H20ClN5O/c21-16-10-4-5-11-17(16)26-19(14-7-6-12-22-13-14)18(24-25-26)20(27)23-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,23,27)
InChIKeyJSHYXDHKEHUZPF-UHFFFAOYSA-N
XLogP4.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide (CID 53037101) is 1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide is O=C(NC1CCCCC1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide?
The InChIKey is JSHYXDHKEHUZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-16-10-4-5-11-17(16)26-19(14-7-6-12-22-13-14)18(24-25-26)20(27)23-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,23,27).
What are the key properties of 1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide?
1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-cyclohexyl-5-pyridin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 53037101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).