6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid

C12H13N3O4 — CID 62092824

IUPAC6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NC2CCCNC2=O)nc1
InChIInChI=1S/C12H13N3O4/c16-10-9(2-1-5-13-10)15-11(17)8-4-3-7(6-14-8)12(18)19/h3-4,6,9H,1-2,5H2,(H,13,16)(H,15,17)(H,18,19)
InChIKeyPBYBZJWFYUJGFF-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.21
Rot. Bonds3

About 6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid

6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 62092824) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID62092824
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NC2CCCNC2=O)nc1
InChIInChI=1S/C12H13N3O4/c16-10-9(2-1-5-13-10)15-11(17)8-4-3-7(6-14-8)12(18)19/h3-4,6,9H,1-2,5H2,(H,13,16)(H,15,17)(H,18,19)
InChIKeyPBYBZJWFYUJGFF-UHFFFAOYSA-N
XLogP-0.21
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 170175526
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
5-hydrazinyl-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 104642267
N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 171564714
6-(methylamino)-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62180415
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
6-amino-N-(2-oxopiperidin-3-yl)pyridazine-3-carboxamide
CID 55041508
6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63661979
6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 56817220
N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97198109
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081

Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid (CID 62092824) is 6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)NC2CCCNC2=O)nc1.
What is the InChIKey of 6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is PBYBZJWFYUJGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-10-9(2-1-5-13-10)15-11(17)8-4-3-7(6-14-8)12(18)19/h3-4,6,9H,1-2,5H2,(H,13,16)(H,15,17)(H,18,19).
What are the key properties of 6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 62092824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).