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

C12H16N2O4 — CID 24697002

IUPAC6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H16N2O4/c15-10-6-5-9(8-14-10)12(18)13-7-3-1-2-4-11(16)17/h5-6,8H,1-4,7H2,(H,13,18)(H,14,15)(H,16,17)
InChIKeyRPDUYDNGBDQODG-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.75
Rot. Bonds7

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

6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 24697002) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
PubChem CID24697002
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H16N2O4/c15-10-6-5-9(8-14-10)12(18)13-7-3-1-2-4-11(16)17/h5-6,8H,1-4,7H2,(H,13,18)(H,14,15)(H,16,17)
InChIKeyRPDUYDNGBDQODG-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-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (CID 24697002) is 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is RPDUYDNGBDQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-10-6-5-9(8-14-10)12(18)13-7-3-1-2-4-11(16)17/h5-6,8H,1-4,7H2,(H,13,18)(H,14,15)(H,16,17).
What are the key properties of 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
6-[(6-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-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 24697002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).