6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid

C12H15N3O3 — CID 55053558

IUPAC6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESNC(=O)C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C12H15N3O3/c13-11(16)8-4-6-15(7-5-8)10-3-1-2-9(14-10)12(17)18/h1-3,8H,4-7H2,(H2,13,16)(H,17,18)
InChIKeyLVKPGTISMNUUKS-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.48
Rot. Bonds3

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

6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 55053558) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID55053558
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESNC(=O)C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C12H15N3O3/c13-11(16)8-4-6-15(7-5-8)10-3-1-2-9(14-10)12(17)18/h1-3,8H,4-7H2,(H2,13,16)(H,17,18)
InChIKeyLVKPGTISMNUUKS-UHFFFAOYSA-N
XLogP0.48
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 84574180
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 608445
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-[4-(cyclopropanecarbonylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122051588
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173079104

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 55053558) is 6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid is NC(=O)C1CCN(c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is LVKPGTISMNUUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-11(16)8-4-6-15(7-5-8)10-3-1-2-9(14-10)12(17)18/h1-3,8H,4-7H2,(H2,13,16)(H,17,18).
What are the key properties of 6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid?
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 55053558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).