6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid

C12H16N2O4 — CID 24691646

IUPAC6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C12H16N2O4/c15-10(16)6-2-1-3-7-13-11(17)9-5-4-8-14-12(9)18/h4-5,8H,1-3,6-7H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyUMOVCOGGTSPHAL-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.75
Rot. Bonds7

About 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid

6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 24691646) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
PubChem CID24691646
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C12H16N2O4/c15-10(16)6-2-1-3-7-13-11(17)9-5-4-8-14-12(9)18/h4-5,8H,1-3,6-7H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyUMOVCOGGTSPHAL-UHFFFAOYSA-N
XLogP0.75
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (CID 24691646) is 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is UMOVCOGGTSPHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-10(16)6-2-1-3-7-13-11(17)9-5-4-8-14-12(9)18/h4-5,8H,1-3,6-7H2,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 24691646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).