N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride

C13H12Cl2N2O — CID 110756419

IUPACN-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1c(Cl)cccc1NC(=O)c1cccnc1.Cl
InChIInChI=1S/C13H11ClN2O.ClH/c1-9-11(14)5-2-6-12(9)16-13(17)10-4-3-7-15-8-10;/h2-8H,1H3,(H,16,17);1H
InChIKeyZEUZMXDMWKKUTQ-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.72
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride

N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 110756419) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
PubChem CID110756419
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC NameN-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1c(Cl)cccc1NC(=O)c1cccnc1.Cl
InChIInChI=1S/C13H11ClN2O.ClH/c1-9-11(14)5-2-6-12(9)16-13(17)10-4-3-7-15-8-10;/h2-8H,1H3,(H,16,17);1H
InChIKeyZEUZMXDMWKKUTQ-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-2-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234663
3-amino-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 110859044
N-(3-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042917
5-N-(3-chloro-2-methylphenyl)-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108471
N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide
CID 23963813
N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride
CID 110777674
N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 45231575
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
CID 2092667
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
N-(3-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62186613
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride (CID 110756419) is N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride is Cc1c(Cl)cccc1NC(=O)c1cccnc1.Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is ZEUZMXDMWKKUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O.ClH/c1-9-11(14)5-2-6-12(9)16-13(17)10-4-3-7-15-8-10;/h2-8H,1H3,(H,16,17);1H.
What are the key properties of N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride?
N-(3-chloro-2-methylphenyl)pyridine-3-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-2-methylphenyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110756419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).