5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid

C13H16N4O4 — CID 63157950

IUPAC5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
SMILESNC(=O)C1CCCCN1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H16N4O4/c14-11(18)10-3-1-2-4-17(10)13(21)16-9-5-8(12(19)20)6-15-7-9/h5-7,10H,1-4H2,(H2,14,18)(H,16,21)(H,19,20)
InChIKeyXPVGOFHTHRUAES-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.65
Rot. Bonds3

About 5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid

5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 63157950) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID63157950
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
SMILESNC(=O)C1CCCCN1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H16N4O4/c14-11(18)10-3-1-2-4-17(10)13(21)16-9-5-8(12(19)20)6-15-7-9/h5-7,10H,1-4H2,(H2,14,18)(H,16,21)(H,19,20)
InChIKeyXPVGOFHTHRUAES-UHFFFAOYSA-N
XLogP0.65
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63157945
5-[(2-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157572
1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114254226
1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 110473498
1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 150068062
5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid
CID 66371481
5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752609
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 112626767
5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 81197548
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid
CID 80594022
5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid
CID 63154190

Frequently Asked Questions

What is the IUPAC name of 5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid (CID 63157950) is 5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid is NC(=O)C1CCCCN1C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is XPVGOFHTHRUAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c14-11(18)10-3-1-2-4-17(10)13(21)16-9-5-8(12(19)20)6-15-7-9/h5-7,10H,1-4H2,(H2,14,18)(H,16,21)(H,19,20).
What are the key properties of 5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).