2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide

C15H12ClN5O — CID 834466

IUPAC2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1ccccn1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C15H12ClN5O/c16-14-5-4-12(21-9-19-20-10-21)7-13(14)15(22)18-8-11-3-1-2-6-17-11/h1-7,9-10H,8H2,(H,18,22)
InChIKeyRXHQVTQABLHMTR-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.25
Rot. Bonds4

About 2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 834466) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID834466
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1ccccn1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C15H12ClN5O/c16-14-5-4-12(21-9-19-20-10-21)7-13(14)15(22)18-8-11-3-1-2-6-17-11/h1-7,9-10H,8H2,(H,18,22)
InChIKeyRXHQVTQABLHMTR-UHFFFAOYSA-N
XLogP2.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine-4-carboxamide, 63
CID 44520945
2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
N-(4-chloro-3-(pyridin-2-yl)phenyl)-6-(1H-1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 52946876
(2,3-dichlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599177
US9687479, 395 N-benzyl-1-[(2-chlorophenyl)carbonyl]-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine
CID 71544427
N-benzyl-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 137642906
N-benzyl-3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 137647477
N-[(2-chlorophenyl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 137650510
2-chloro-N-cyclohexyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834474
N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
CID 146294019
N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide
CID 146294022
2-chloro-N-isopropyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834461

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide (CID 834466) is 2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide is O=C(NCc1ccccn1)c1cc(-n2cnnc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is RXHQVTQABLHMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-14-5-4-12(21-9-19-20-10-21)7-13(14)15(22)18-8-11-3-1-2-6-17-11/h1-7,9-10H,8H2,(H,18,22).
What are the key properties of 2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 313.75 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridin-2-ylmethyl)-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 834466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).