2-(4-chloro-2-methylanilino)pyridine-3-carboxamide

C13H12ClN3O — CID 901918

IUPAC2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ncccc1C(N)=O
InChIInChI=1S/C13H12ClN3O/c1-8-7-9(14)4-5-11(8)17-13-10(12(15)18)3-2-6-16-13/h2-7H,1H3,(H2,15,18)(H,16,17)
InChIKeyCQLNDXQKFYZEER-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-chloro-2-methylanilino)pyridine-3-carboxamide

2-(4-chloro-2-methylanilino)pyridine-3-carboxamide (PubChem CID 901918) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
PubChem CID901918
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ncccc1C(N)=O
InChIInChI=1S/C13H12ClN3O/c1-8-7-9(14)4-5-11(8)17-13-10(12(15)18)3-2-6-16-13/h2-7H,1H3,(H2,15,18)(H,16,17)
InChIKeyCQLNDXQKFYZEER-UHFFFAOYSA-N
XLogP2.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide
CID 165177944
[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol
CID 82087006
(E)-4-[2-(4-chloro-2-methylanilino)-3-pyridinyl]but-3-en-2-one
CID 118001497
2-(4-chloro-2-iodoanilino)pyridine-3-carbothioamide
CID 107635581
2-(5-chloro-2-fluoroanilino)pyridine-3-carbothioamide
CID 43438549
2-[2-(aminomethyl)anilino]pyridine-3-carboxamide
CID 55241412
2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63653933
2-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 172773445
2-N-(5-chloro-2-methylphenyl)pyridine-2,3-diamine
CID 28846305
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
CID 178064932
5-chloro-6-(4-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114256027

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)pyridine-3-carboxamide (CID 901918) is 2-(4-chloro-2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)pyridine-3-carboxamide is Cc1cc(Cl)ccc1Nc1ncccc1C(N)=O.
What is the InChIKey of 2-(4-chloro-2-methylanilino)pyridine-3-carboxamide?
The InChIKey is CQLNDXQKFYZEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-7-9(14)4-5-11(8)17-13-10(12(15)18)3-2-6-16-13/h2-7H,1H3,(H2,15,18)(H,16,17).
What are the key properties of 2-(4-chloro-2-methylanilino)pyridine-3-carboxamide?
2-(4-chloro-2-methylanilino)pyridine-3-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 901918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).