2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid

C15H15ClN2O2 — CID 60678560

IUPAC2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCc2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN2O2/c1-9-7-10(2)18-14(13(9)15(19)20)17-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUAYKARGYJBDTBN-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.66
Rot. Bonds4

About 2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid

2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 60678560) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID60678560
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCc2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN2O2/c1-9-7-10(2)18-14(13(9)15(19)20)17-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUAYKARGYJBDTBN-UHFFFAOYSA-N
XLogP3.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 61003365
2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107636152
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084
2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678719
4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233545
2-[(3-amino-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 54896880
4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid
CID 62691835
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 114150193
2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135764107
4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 61003705
2-[(2-chlorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306604

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid (CID 60678560) is 2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is UAYKARGYJBDTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-7-10(2)18-14(13(9)15(19)20)17-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid?
2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 60678560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).