3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide

C14H13ClN2O — CID 66462249

IUPAC3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccncc2Cl)c1C
InChIInChI=1S/C14H13ClN2O/c1-9-4-3-5-13(10(9)2)17-14(18)11-6-7-16-8-12(11)15/h3-8H,1-2H3,(H,17,18)
InChIKeyZWXKAEZDOWTUTP-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.60
Rot. Bonds2

About 3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide

3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide (PubChem CID 66462249) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
PubChem CID66462249
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccncc2Cl)c1C
InChIInChI=1S/C14H13ClN2O/c1-9-4-3-5-13(10(9)2)17-14(18)11-6-7-16-8-12(11)15/h3-8H,1-2H3,(H,17,18)
InChIKeyZWXKAEZDOWTUTP-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 66484528
N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide
CID 131914327
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
3-amino-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 110859044
N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide
CID 110857655
3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 66482984
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
N-(2-chloro-3-methylphenyl)-3-hydroxypyridine-4-carboxamide
CID 114251337
N-(3-chloro-2-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234663
(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone
CID 105093856
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 66482742

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide (CID 66462249) is 3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide is Cc1cccc(NC(=O)c2ccncc2Cl)c1C.
What is the InChIKey of 3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide?
The InChIKey is ZWXKAEZDOWTUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-4-3-5-13(10(9)2)17-14(18)11-6-7-16-8-12(11)15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide?
3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide has a molecular weight of 260.72 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 66462249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).