6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid

C13H13N3O2 — CID 60903457

IUPAC6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2ccncc2)nc1
InChIInChI=1S/C13H13N3O2/c17-13(18)11-1-2-12(16-9-11)15-8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,16)(H,17,18)
InChIKeyKCERIFJLRPGSBH-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.83
Rot. Bonds5

About 6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid

6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid (PubChem CID 60903457) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
PubChem CID60903457
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2ccncc2)nc1
InChIInChI=1S/C13H13N3O2/c17-13(18)11-1-2-12(16-9-11)15-8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,16)(H,17,18)
InChIKeyKCERIFJLRPGSBH-UHFFFAOYSA-N
XLogP1.83
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-pyridin-4-ylethylamino)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

N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
6-(2-pyridin-4-ylethylsulfonylamino)pyridine-3-carboxylic acid
CID 61320443
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158114
4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
CID 82513444
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 167958178
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone
CID 126470343
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid (CID 60903457) is 6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid is O=C(O)c1ccc(NCCc2ccncc2)nc1.
What is the InChIKey of 6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid?
The InChIKey is KCERIFJLRPGSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)11-1-2-12(16-9-11)15-8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,16)(H,17,18).
What are the key properties of 6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid?
6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 60903457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).