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

C14H16N4O2 — CID 122053398

IUPAC6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(n3ccnc3)CC2)n1
InChIInChI=1S/C14H16N4O2/c19-14(20)12-2-1-3-13(16-12)17-7-4-11(5-8-17)18-9-6-15-10-18/h1-3,6,9-11H,4-5,7-8H2,(H,19,20)
InChIKeyBBCXLZOVEGFPGM-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.82
Rot. Bonds3

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

6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 122053398) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID122053398
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(n3ccnc3)CC2)n1
InChIInChI=1S/C14H16N4O2/c19-14(20)12-2-1-3-13(16-12)17-7-4-11(5-8-17)18-9-6-15-10-18/h1-3,6,9-11H,4-5,7-8H2,(H,19,20)
InChIKeyBBCXLZOVEGFPGM-UHFFFAOYSA-N
XLogP1.82
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054346
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122048040
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053337
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053839
6-[4-(cyclopropanecarbonylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122051588

Frequently Asked Questions

What is the IUPAC name of 6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 122053398) is 6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(n3ccnc3)CC2)n1.
What is the InChIKey of 6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is BBCXLZOVEGFPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(20)12-2-1-3-13(16-12)17-7-4-11(5-8-17)18-9-6-15-10-18/h1-3,6,9-11H,4-5,7-8H2,(H,19,20).
What are the key properties of 6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122053398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).