2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid

C15H13N3O2 — CID 61003027

IUPAC2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2ccccc2C#N)n1
InChIInChI=1S/C15H13N3O2/c1-9-7-10(2)17-14(13(9)15(19)20)18-12-6-4-3-5-11(12)8-16/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyWPRUDXRCYJPRKZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.01
Rot. Bonds3

About 2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid

2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 61003027) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID61003027
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2ccccc2C#N)n1
InChIInChI=1S/C15H13N3O2/c1-9-7-10(2)17-14(13(9)15(19)20)18-12-6-4-3-5-11(12)8-16/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyWPRUDXRCYJPRKZ-UHFFFAOYSA-N
XLogP3.01
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82695182
2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107791200
4-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194394
2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107636152
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
CID 81440129
2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107528823
2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63537312
2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932302
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 60678598
2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003029
N-[4-[[4-(2-cyanoanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112931566

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid (CID 61003027) is 2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Nc2ccccc2C#N)n1.
What is the InChIKey of 2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is WPRUDXRCYJPRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-7-10(2)17-14(13(9)15(19)20)18-12-6-4-3-5-11(12)8-16/h3-7H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 61003027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).