3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid

C15H16N2O3 — CID 63073137

IUPAC3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(N(C)Cc2cccnc2C(=O)O)cc1
InChIInChI=1S/C15H16N2O3/c1-17(12-5-7-13(20-2)8-6-12)10-11-4-3-9-16-14(11)15(18)19/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySRGYECWKGQARIH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.42
Rot. Bonds5

About 3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid

3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid (PubChem CID 63073137) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
PubChem CID63073137
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(N(C)Cc2cccnc2C(=O)O)cc1
InChIInChI=1S/C15H16N2O3/c1-17(12-5-7-13(20-2)8-6-12)10-11-4-3-9-16-14(11)15(18)19/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySRGYECWKGQARIH-UHFFFAOYSA-N
XLogP2.42
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
CID 63069373
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 55179540
4-[(4-methoxy-N-methylanilino)methyl]-3-methylbenzoic acid
CID 114485460
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068120
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
CID 55128400
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63075429
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146900

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid (CID 63073137) is 3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid is COc1ccc(N(C)Cc2cccnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid?
The InChIKey is SRGYECWKGQARIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(12-5-7-13(20-2)8-6-12)10-11-4-3-9-16-14(11)15(18)19/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid?
3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63073137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).