3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid

C14H11N3O2 — CID 69235478

IUPAC3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(Nc2cccc(C#N)c2)c(C(=O)O)n1
InChIInChI=1S/C14H11N3O2/c1-9-5-6-12(13(16-9)14(18)19)17-11-4-2-3-10(7-11)8-15/h2-7,17H,1H3,(H,18,19)
InChIKeyZTHSWUAUEBGONW-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.70
Rot. Bonds3

About 3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid

3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid (PubChem CID 69235478) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid
PubChem CID69235478
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(Nc2cccc(C#N)c2)c(C(=O)O)n1
InChIInChI=1S/C14H11N3O2/c1-9-5-6-12(13(16-9)14(18)19)17-11-4-2-3-10(7-11)8-15/h2-7,17H,1H3,(H,18,19)
InChIKeyZTHSWUAUEBGONW-UHFFFAOYSA-N
XLogP2.70
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyanoanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 86607585
6-methyl-3-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 69237499
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
2-amino-6-(3-cyanoanilino)-3-fluorobenzoic acid
CID 83215886
3-[4-[(3-acetyl-6-methyl-2-pyridinyl)oxy]anilino]benzonitrile
CID 144835649
3-[(6-bromo-2-methylquinolin-4-yl)amino]benzonitrile
CID 110435723
3-[[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109324521
7-(3-cyanoanilino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 21034607
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
N-(3-cyanophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779207
methyl 3-amino-4-(3-cyanoanilino)benzoate
CID 61305283
3-(5-acetyl-2-chloroanilino)benzonitrile
CID 82535323

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid (CID 69235478) is 3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid is Cc1ccc(Nc2cccc(C#N)c2)c(C(=O)O)n1.
What is the InChIKey of 3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid?
The InChIKey is ZTHSWUAUEBGONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-5-6-12(13(16-9)14(18)19)17-11-4-2-3-10(7-11)8-15/h2-7,17H,1H3,(H,18,19).
What are the key properties of 3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid?
3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanoanilino)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 69235478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).