5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid

C15H13N3O2 — CID 114765404

IUPAC5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid
SMILESCc1cc(C#N)cc(Nc2ccc(C)c(C(=O)O)c2)n1
InChIInChI=1S/C15H13N3O2/c1-9-3-4-12(7-13(9)15(19)20)18-14-6-11(8-16)5-10(2)17-14/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyAWSZSXNSRRQKMS-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.01
Rot. Bonds3

About 5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid

5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid (PubChem CID 114765404) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid
PubChem CID114765404
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid
SMILESCc1cc(C#N)cc(Nc2ccc(C)c(C(=O)O)c2)n1
InChIInChI=1S/C15H13N3O2/c1-9-3-4-12(7-13(9)15(19)20)18-14-6-11(8-16)5-10(2)17-14/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyAWSZSXNSRRQKMS-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

5-(4-cyanoanilino)-2-methylbenzoic acid
CID 63652832
2-methyl-5-[(2-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653352
5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid
CID 66332455
2-methyl-5-[(6-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653356
2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile
CID 114766617
5-[(2-chloropyrimidin-4-yl)amino]-2-methylbenzoic acid
CID 142717352
2-chloro-5-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]benzoic acid
CID 60860716
4-[[6-(4-cyanoanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193354
5-(2-cyano-4-fluoroanilino)-2-methylbenzoic acid
CID 63674787
2-methyl-6-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 114765647
2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114257428
2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765734

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid (CID 114765404) is 5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid is Cc1cc(C#N)cc(Nc2ccc(C)c(C(=O)O)c2)n1.
What is the InChIKey of 5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid?
The InChIKey is AWSZSXNSRRQKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-3-4-12(7-13(9)15(19)20)18-14-6-11(8-16)5-10(2)17-14/h3-7H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid?
5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic 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 5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 114765404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).