3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid

C18H18N2O4 — CID 70237355

IUPAC3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccn2)c1C1CCC(C(=O)O)CC1
InChIInChI=1S/C18H18N2O4/c21-17(22)12-6-4-11(5-7-12)15-13(18(23)24)8-10-20-16(15)14-3-1-2-9-19-14/h1-3,8-12H,4-7H2,(H,21,22)(H,23,24)
InChIKeyPARSIRUQMVERFY-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.20
Rot. Bonds4

About 3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid

3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid (PubChem CID 70237355) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid
PubChem CID70237355
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccn2)c1C1CCC(C(=O)O)CC1
InChIInChI=1S/C18H18N2O4/c21-17(22)12-6-4-11(5-7-12)15-13(18(23)24)8-10-20-16(15)14-3-1-2-9-19-14/h1-3,8-12H,4-7H2,(H,21,22)(H,23,24)
InChIKeyPARSIRUQMVERFY-UHFFFAOYSA-N
XLogP3.20
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-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-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid
CID 83919432
(1S,8R)-3,6-dipyridin-2-yl-4,5-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 102119858
2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
2,3-dipyridin-2-ylpyridine-4-carboxamide
CID 141257158
2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride
CID 87501484
4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 142791265
5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid
CID 82373746
4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 145497572
2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium
CID 175593877
bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride
CID 10123777
4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid
CID 66678136

Frequently Asked Questions

What is the IUPAC name of 3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid (CID 70237355) is 3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccccn2)c1C1CCC(C(=O)O)CC1.
What is the InChIKey of 3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid?
The InChIKey is PARSIRUQMVERFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(22)12-6-4-11(5-7-12)15-13(18(23)24)8-10-20-16(15)14-3-1-2-9-19-14/h1-3,8-12H,4-7H2,(H,21,22)(H,23,24).
What are the key properties of 3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid?
3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carboxycyclohexyl)-2-pyridin-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 70237355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).