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

C13H13N3O2 — CID 81243431

IUPAC6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(Nc2cccnc2C)c(C(=O)O)cn1
InChIInChI=1S/C13H13N3O2/c1-8-6-12(10(7-15-8)13(17)18)16-11-4-3-5-14-9(11)2/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyLERVSBVOSABCLA-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.54
Rot. Bonds3

About 6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid

6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid (PubChem CID 81243431) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
PubChem CID81243431
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(Nc2cccnc2C)c(C(=O)O)cn1
InChIInChI=1S/C13H13N3O2/c1-8-6-12(10(7-15-8)13(17)18)16-11-4-3-5-14-9(11)2/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyLERVSBVOSABCLA-UHFFFAOYSA-N
XLogP2.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-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 6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid (CID 81243431) is 6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid is Cc1cc(Nc2cccnc2C)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid?
The InChIKey is LERVSBVOSABCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-6-12(10(7-15-8)13(17)18)16-11-4-3-5-14-9(11)2/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid?
6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81243431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).