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

C14H14N2O3 — CID 114198841

IUPAC2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid
SMILESCN(Cc1ncccc1C(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H14N2O3/c1-16(10-4-2-5-11(17)8-10)9-13-12(14(18)19)6-3-7-15-13/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyAHIKQZCSWQSTIY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.12
Rot. Bonds4

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

2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid (PubChem CID 114198841) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid
PubChem CID114198841
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid
SMILESCN(Cc1ncccc1C(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H14N2O3/c1-16(10-4-2-5-11(17)8-10)9-13-12(14(18)19)6-3-7-15-13/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyAHIKQZCSWQSTIY-UHFFFAOYSA-N
XLogP2.12
TPSA73.66 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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-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

2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid
CID 107736702
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615584
2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
CID 107736699
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 146135062
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198580
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
4-[(3-cyano-N-methylanilino)methyl]pyrimidine-5-carboxylic acid
CID 102974357
2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198494
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
4-(3-hydroxy-N-methylanilino)butanoic acid
CID 103828767

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid (CID 114198841) is 2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid is CN(Cc1ncccc1C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid?
The InChIKey is AHIKQZCSWQSTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-16(10-4-2-5-11(17)8-10)9-13-12(14(18)19)6-3-7-15-13/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid?
2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).