1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid

C13H15N3O4 — CID 119137717

IUPAC1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
SMILESNC(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)nc1
InChIInChI=1S/C13H15N3O4/c14-11(17)8-4-5-9(15-7-8)12(18)16-6-2-1-3-10(16)13(19)20/h4-5,7,10H,1-3,6H2,(H2,14,17)(H,19,20)
InChIKeyAGIVAKOFHKSQNV-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.26
Rot. Bonds3

About 1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid

1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 119137717) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID119137717
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
SMILESNC(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)nc1
InChIInChI=1S/C13H15N3O4/c14-11(17)8-4-5-9(15-7-8)12(18)16-6-2-1-3-10(16)13(19)20/h4-5,7,10H,1-3,6H2,(H2,14,17)(H,19,20)
InChIKeyAGIVAKOFHKSQNV-UHFFFAOYSA-N
XLogP0.26
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120537319
(2S,3aR,7aS)-1-(5-carbamoylpyridine-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125130237
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide
CID 95042437
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
(2R)-1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371097
1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356013
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide
CID 97345604

Frequently Asked Questions

What is the IUPAC name of 1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid (CID 119137717) is 1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid is NC(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)nc1.
What is the InChIKey of 1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is AGIVAKOFHKSQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c14-11(17)8-4-5-9(15-7-8)12(18)16-6-2-1-3-10(16)13(19)20/h4-5,7,10H,1-3,6H2,(H2,14,17)(H,19,20).
What are the key properties of 1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 119137717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).