7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid

C13H18N2O4 — CID 24710339

IUPAC7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O4/c16-11-7-6-10(9-15-11)13(19)14-8-4-2-1-3-5-12(17)18/h6-7,9H,1-5,8H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyBISPMIOEJNTINU-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.14
Rot. Bonds8

About 7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid

7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid (PubChem CID 24710339) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
PubChem CID24710339
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O4/c16-11-7-6-10(9-15-11)13(19)14-8-4-2-1-3-5-12(17)18/h6-7,9H,1-5,8H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyBISPMIOEJNTINU-UHFFFAOYSA-N
XLogP1.14
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.14
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 7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid (CID 24710339) is 7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid is O=C(O)CCCCCCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid?
The InChIKey is BISPMIOEJNTINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-11-7-6-10(9-15-11)13(19)14-8-4-2-1-3-5-12(17)18/h6-7,9H,1-5,8H2,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid?
7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 24710339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).