N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride

C13H12Cl2N2O — CID 110756427

IUPACN-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)c2ccncc2)cc1Cl.Cl
InChIInChI=1S/C13H11ClN2O.ClH/c1-9-2-3-11(8-12(9)14)16-13(17)10-4-6-15-7-5-10;/h2-8H,1H3,(H,16,17);1H
InChIKeyALFWNINSZIXJHH-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.72
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride

N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride (PubChem CID 110756427) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
PubChem CID110756427
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC NameN-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)c2ccncc2)cc1Cl.Cl
InChIInChI=1S/C13H11ClN2O.ClH/c1-9-2-3-11(8-12(9)14)16-13(17)10-4-6-15-7-5-10;/h2-8H,1H3,(H,16,17);1H
InChIKeyALFWNINSZIXJHH-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63865104
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333029
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047684

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride (CID 110756427) is N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride is Cc1ccc(NC(=O)c2ccncc2)cc1Cl.Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride?
The InChIKey is ALFWNINSZIXJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O.ClH/c1-9-2-3-11(8-12(9)14)16-13(17)10-4-6-15-7-5-10;/h2-8H,1H3,(H,16,17);1H.
What are the key properties of N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride?
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride has a molecular weight of 283.16 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110756427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).