6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid

C14H14N2O3 — CID 55130145

IUPAC6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(Nc2ccc(C(=O)O)cn2)c(C)c1
InChIInChI=1S/C14H14N2O3/c1-9-7-11(19-2)4-5-12(9)16-13-6-3-10(8-15-13)14(17)18/h3-8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyWVHWSLFLGVZJTL-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.84
Rot. Bonds4

About 6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid

6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid (PubChem CID 55130145) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid
PubChem CID55130145
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(Nc2ccc(C(=O)O)cn2)c(C)c1
InChIInChI=1S/C14H14N2O3/c1-9-7-11(19-2)4-5-12(9)16-13-6-3-10(8-15-13)14(17)18/h3-8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyWVHWSLFLGVZJTL-UHFFFAOYSA-N
XLogP2.84
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-hydroxy-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317558
6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 82861205
6-[(2-fluoro-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 102881937
N-(2,4-dimethoxyphenyl)-6-(2,3-dimethylanilino)pyridine-3-carboxamide
CID 109162768
6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109164323
6-(2,4-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109162546
6-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 63978415
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
6-(4-chloro-2-fluoroanilino)pyridine-3-carboxylic acid
CID 54954335
N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109162635
6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 43347442
methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate
CID 66524293

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid (CID 55130145) is 6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid is COc1ccc(Nc2ccc(C(=O)O)cn2)c(C)c1.
What is the InChIKey of 6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is WVHWSLFLGVZJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-7-11(19-2)4-5-12(9)16-13-6-3-10(8-15-13)14(17)18/h3-8H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid?
6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 55130145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).