6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid

C15H18N4O2 — CID 122054346

IUPAC6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCN(c2cccc(C(=O)O)n2)CC1n1ccnc1
InChIInChI=1S/C15H18N4O2/c1-11-5-7-18(9-13(11)19-8-6-16-10-19)14-4-2-3-12(17-14)15(20)21/h2-4,6,8,10-11,13H,5,7,9H2,1H3,(H,20,21)
InChIKeyCFBOAPZTWZUJJE-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.06
Rot. Bonds3

About 6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid

6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 122054346) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID122054346
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCN(c2cccc(C(=O)O)n2)CC1n1ccnc1
InChIInChI=1S/C15H18N4O2/c1-11-5-7-18(9-13(11)19-8-6-16-10-19)14-4-2-3-12(17-14)15(20)21/h2-4,6,8,10-11,13H,5,7,9H2,1H3,(H,20,21)
InChIKeyCFBOAPZTWZUJJE-UHFFFAOYSA-N
XLogP2.06
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122053398
5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine
CID 124741901
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
(2-fluoro-6-methylsulfanylphenyl)-[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]methanone
CID 124873903
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 124627109
[(3S,4S)-3-imidazol-1-yl-4-methylpiperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 124627112
(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide
CID 97224827
(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide
CID 125140956
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate
CID 98892031

Frequently Asked Questions

What is the IUPAC name of 6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 122054346) is 6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid is CC1CCN(c2cccc(C(=O)O)n2)CC1n1ccnc1.
What is the InChIKey of 6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is CFBOAPZTWZUJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-5-7-18(9-13(11)19-8-6-16-10-19)14-4-2-3-12(17-14)15(20)21/h2-4,6,8,10-11,13H,5,7,9H2,1H3,(H,20,21).
What are the key properties of 6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid?
6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 286.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122054346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).