6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid

C15H16N2O4 — CID 106904347

IUPAC6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(NCc2cccc(C(=O)O)n2)c(OC)c1
InChIInChI=1S/C15H16N2O4/c1-20-11-6-7-12(14(8-11)21-2)16-9-10-4-3-5-13(17-10)15(18)19/h3-8,16H,9H2,1-2H3,(H,18,19)
InChIKeyYLBMZQVXHWBBDY-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.41
Rot. Bonds6

About 6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid

6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904347) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
PubChem CID106904347
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(NCc2cccc(C(=O)O)n2)c(OC)c1
InChIInChI=1S/C15H16N2O4/c1-20-11-6-7-12(14(8-11)21-2)16-9-10-4-3-5-13(17-10)15(18)19/h3-8,16H,9H2,1-2H3,(H,18,19)
InChIKeyYLBMZQVXHWBBDY-UHFFFAOYSA-N
XLogP2.41
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106905026
6-[(2,4-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904620
6-(2,5-dimethoxyanilino)pyridine-2-carboxylic acid
CID 62254625
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904396
6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol
CID 79775559
6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904582
2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol
CID 115904030
6-[(4-methoxyphenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903462
4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
CID 103347714
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid (CID 106904347) is 6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid is COc1ccc(NCc2cccc(C(=O)O)n2)c(OC)c1.
What is the InChIKey of 6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid?
The InChIKey is YLBMZQVXHWBBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-11-6-7-12(14(8-11)21-2)16-9-10-4-3-5-13(17-10)15(18)19/h3-8,16H,9H2,1-2H3,(H,18,19).
What are the key properties of 6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid?
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).