6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid

C12H15N3O3 — CID 61403349

IUPAC6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NC2CCNCC2)n1
InChIInChI=1S/C12H15N3O3/c16-11(14-8-4-6-13-7-5-8)9-2-1-3-10(15-9)12(17)18/h1-3,8,13H,4-7H2,(H,14,16)(H,17,18)
InChIKeyARQGQOGVUKIUFF-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.26
Rot. Bonds3

About 6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid

6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 61403349) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID61403349
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NC2CCNCC2)n1
InChIInChI=1S/C12H15N3O3/c16-11(14-8-4-6-13-7-5-8)9-2-1-3-10(15-9)12(17)18/h1-3,8,13H,4-7H2,(H,14,16)(H,17,18)
InChIKeyARQGQOGVUKIUFF-UHFFFAOYSA-N
XLogP0.26
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61403303
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
CID 115910448
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 114550590
6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180912
2-phenyl-N-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 119390406
6-(4-morpholin-4-ylanilino)-N-piperidin-4-ylpyridine-2-carboxamide
CID 70300541
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 63997792
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid (CID 61403349) is 6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NC2CCNCC2)n1.
What is the InChIKey of 6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is ARQGQOGVUKIUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(14-8-4-6-13-7-5-8)9-2-1-3-10(15-9)12(17)18/h1-3,8,13H,4-7H2,(H,14,16)(H,17,18).
What are the key properties of 6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 61403349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).