5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid

C12H13N3O4 — CID 83192913

IUPAC5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C1CCC(C(=O)Nc2ccc(C(=O)O)nc2)CN1
InChIInChI=1S/C12H13N3O4/c16-10-4-1-7(5-14-10)11(17)15-8-2-3-9(12(18)19)13-6-8/h2-3,6-7H,1,4-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyYDPBEGFHTUGTSH-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.24
Rot. Bonds3

About 5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid

5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 83192913) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID83192913
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C1CCC(C(=O)Nc2ccc(C(=O)O)nc2)CN1
InChIInChI=1S/C12H13N3O4/c16-10-4-1-7(5-14-10)11(17)15-8-2-3-9(12(18)19)13-6-8/h2-3,6-7H,1,4-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyYDPBEGFHTUGTSH-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-3-carboxamide
CID 122298657
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
N-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 112728864
(3S)-6-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidine-3-carboxamide
CID 99591065
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 76871986
5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 138029318
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 83192588
N-(4-methyl-3-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 74570841

Frequently Asked Questions

What is the IUPAC name of 5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid (CID 83192913) is 5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid is O=C1CCC(C(=O)Nc2ccc(C(=O)O)nc2)CN1.
What is the InChIKey of 5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is YDPBEGFHTUGTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-10-4-1-7(5-14-10)11(17)15-8-2-3-9(12(18)19)13-6-8/h2-3,6-7H,1,4-5H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid?
5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 83192913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).