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

C12H16N2O4 — CID 43388149

IUPAC2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccc(=O)[nH]c1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-3-4-9(12(17)18)14-11(16)8-5-6-10(15)13-7-8/h5-7,9H,2-4H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeySVIUDXUMEMDUNJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.75
Rot. Bonds6

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

2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 43388149) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
PubChem CID43388149
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccc(=O)[nH]c1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-3-4-9(12(17)18)14-11(16)8-5-6-10(15)13-7-8/h5-7,9H,2-4H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeySVIUDXUMEMDUNJ-UHFFFAOYSA-N
XLogP0.75
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (CID 43388149) is 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1ccc(=O)[nH]c1)C(=O)O.
What is the InChIKey of 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is SVIUDXUMEMDUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-3-4-9(12(17)18)14-11(16)8-5-6-10(15)13-7-8/h5-7,9H,2-4H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43388149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).