7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid

C13H18N2O5 — CID 24693793

IUPAC7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H18N2O5/c16-10-7-9(8-11(17)15-10)13(20)14-6-4-2-1-3-5-12(18)19/h7-8H,1-6H2,(H,14,20)(H,18,19)(H2,15,16,17)
InChIKeyZCIQTFJYIQBQSF-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.85
Rot. Bonds8

About 7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid

7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid (PubChem CID 24693793) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid
PubChem CID24693793
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H18N2O5/c16-10-7-9(8-11(17)15-10)13(20)14-6-4-2-1-3-5-12(18)19/h7-8H,1-6H2,(H,14,20)(H,18,19)(H2,15,16,17)
InChIKeyZCIQTFJYIQBQSF-UHFFFAOYSA-N
XLogP0.85
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(2-Oxo-1,2-dihydropyridine-3-carboxamido)octanoic acid
CID 10660393
8-[(1-methyl-2H-pyridine-3-carbonyl)amino]octanoic acid
CID 20131983
8-[(6-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
CID 20132010
6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24697002
6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24691646
6-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]hexanoic acid
CID 24695392
7-[(2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24708760
7-[[(E)-2-methylpent-2-enoyl]amino]heptanoic acid
CID 24709935
7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24710339
6-[3-(4-Methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150891
6-[4-(4-Methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid
CID 39150953
6-[5-(4-Methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid
CID 39150976

Frequently Asked Questions

What is the IUPAC name of 7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid (CID 24693793) is 7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid is O=C(O)CCCCCCNC(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid?
The InChIKey is ZCIQTFJYIQBQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c16-10-7-9(8-11(17)15-10)13(20)14-6-4-2-1-3-5-12(18)19/h7-8H,1-6H2,(H,14,20)(H,18,19)(H2,15,16,17).
What are the key properties of 7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid?
7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.85, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 24693793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).