2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide

C15H12ClN5O — CID 834470

IUPAC2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1
InChIInChI=1S/C15H12ClN5O/c1-10-4-5-17-14(6-10)20-15(22)12-7-11(2-3-13(12)16)21-8-18-19-9-21/h2-9H,1H3,(H,17,20,22)
InChIKeyLWYOYSBLUPLFME-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.88
Rot. Bonds3

About 2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 834470) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID834470
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1
InChIInChI=1S/C15H12ClN5O/c1-10-4-5-17-14(6-10)20-15(22)12-7-11(2-3-13(12)16)21-8-18-19-9-21/h2-9H,1H3,(H,17,20,22)
InChIKeyLWYOYSBLUPLFME-UHFFFAOYSA-N
XLogP2.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ST50631408
CID 3929829
2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
2-chloro-N-(4-methylphenyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834481
N-(4-chloro-3-(pyridin-2-yl)phenyl)-6-(1H-1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 52946876
N-(4-chloro-3-(pyridin-2-yl)phenyl)-2-methyl-6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinamide
CID 52948089
2,6-dichloro-N-[2-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618504
2,6-dichloro-N-[2-[[(1S,2R)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 70824497
N-[(2-chlorophenyl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 137650510
N-[4-chloro-3-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-2-fluoro-4-(trifluoromethyl)benzamide
CID 156019469
2-chloro-N-cyclohexyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834474
2-chloro-N-(pyridin-2-yl)benzamide
CID 350153
2-chloro-N-(4-methylpyridin-2-yl)benzamide
CID 835324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide (CID 834470) is 2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide is Cc1ccnc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is LWYOYSBLUPLFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c1-10-4-5-17-14(6-10)20-15(22)12-7-11(2-3-13(12)16)21-8-18-19-9-21/h2-9H,1H3,(H,17,20,22).
What are the key properties of 2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-(4-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 313.75 g/mol, XLogP of 2.88, 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-methyl-2-pyridinyl)-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 834470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).