5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid

C12H11N3O2 — CID 12640186

IUPAC5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C12H11N3O2/c16-12(17)11-2-1-10(8-15-11)14-7-9-3-5-13-6-4-9/h1-6,8,14H,7H2,(H,16,17)
InChIKeyLYLJJBWJAKUKQV-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.79
Rot. Bonds4

About 5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid

5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid (PubChem CID 12640186) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
PubChem CID12640186
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C12H11N3O2/c16-12(17)11-2-1-10(8-15-11)14-7-9-3-5-13-6-4-9/h1-6,8,14H,7H2,(H,16,17)
InChIKeyLYLJJBWJAKUKQV-UHFFFAOYSA-N
XLogP1.79
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(pyridin-4-ylmethylamino)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

[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181808
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191623
N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191597
N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191642
5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
CID 113321615
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042
N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191648
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109183266
5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 115490715
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid (CID 12640186) is 5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid is O=C(O)c1ccc(NCc2ccncc2)cn1.
What is the InChIKey of 5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid?
The InChIKey is LYLJJBWJAKUKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)11-2-1-10(8-15-11)14-7-9-3-5-13-6-4-9/h1-6,8,14H,7H2,(H,16,17).
What are the key properties of 5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid?
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 12640186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).