4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid

C12H11N3O2 — CID 81243430

IUPAC4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
SMILESCc1ncccc1Nc1ccncc1C(=O)O
InChIInChI=1S/C12H11N3O2/c1-8-10(3-2-5-14-8)15-11-4-6-13-7-9(11)12(16)17/h2-7H,1H3,(H,13,15)(H,16,17)
InChIKeyRTGFNVXATUIRIL-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.23
Rot. Bonds3

About 4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid

4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid (PubChem CID 81243430) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
PubChem CID81243430
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
SMILESCc1ncccc1Nc1ccncc1C(=O)O
InChIInChI=1S/C12H11N3O2/c1-8-10(3-2-5-14-8)15-11-4-6-13-7-9(11)12(16)17/h2-7H,1H3,(H,13,15)(H,16,17)
InChIKeyRTGFNVXATUIRIL-UHFFFAOYSA-N
XLogP2.23
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methyl-3-pyridinyl)amino]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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid (CID 81243430) is 4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid is Cc1ncccc1Nc1ccncc1C(=O)O.
What is the InChIKey of 4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid?
The InChIKey is RTGFNVXATUIRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8-10(3-2-5-14-8)15-11-4-6-13-7-9(11)12(16)17/h2-7H,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid?
4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81243430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).