N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C19H13ClN6O — CID 52946876

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C19H13ClN6O/c20-16-6-5-14(9-15(16)17-3-1-2-8-22-17)25-19(27)13-4-7-18(23-10-13)26-12-21-11-24-26/h1-12H,(H,25,27)
InChIKeyZEEMSSCRMRQGRO-UHFFFAOYSA-N
MW376.81 g/mol
LogP3.63
Rot. Bonds4

About N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 52946876) has the molecular formula C19H13ClN6O and a molecular weight of 376.81 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID52946876
Molecular FormulaC19H13ClN6O
Molecular Weight376.81 g/mol
Exact Mass376.08
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C19H13ClN6O/c20-16-6-5-14(9-15(16)17-3-1-2-8-22-17)25-19(27)13-4-7-18(23-10-13)26-12-21-11-24-26/h1-12H,(H,25,27)
InChIKeyZEEMSSCRMRQGRO-UHFFFAOYSA-N
XLogP3.63
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 52946876) is N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is ZEEMSSCRMRQGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O/c20-16-6-5-14(9-15(16)17-3-1-2-8-22-17)25-19(27)13-4-7-18(23-10-13)26-12-21-11-24-26/h1-12H,(H,25,27).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 376.81 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 52946876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).