2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide

C14H10ClN5O — CID 30765929

IUPAC2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C14H10ClN5O/c15-13-7-10(5-6-17-13)14(21)19-11-1-3-12(4-2-11)20-9-16-8-18-20/h1-9H,(H,19,21)
InChIKeyYULMUMXRTQZHAS-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.57
Rot. Bonds3

About 2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide

2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 30765929) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID30765929
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C14H10ClN5O/c15-13-7-10(5-6-17-13)14(21)19-11-1-3-12(4-2-11)20-9-16-8-18-20/h1-9H,(H,19,21)
InChIKeyYULMUMXRTQZHAS-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 60927071
3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121357
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 27702237
3-(2,2-dimethylpropanoylamino)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37120344
N-[4-(1,2,4-triazol-1-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 37120372
N-[2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37122573
2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 47071207
N-[3-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37121591
4-(methylsulfonylmethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121988
N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 154751807
N-(1,3-benzodioxol-5-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 22108068

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide (CID 30765929) is 2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(-n2cncn2)cc1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is YULMUMXRTQZHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-13-7-10(5-6-17-13)14(21)19-11-1-3-12(4-2-11)20-9-16-8-18-20/h1-9H,(H,19,21).
What are the key properties of 2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide?
2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 299.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 30765929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).