1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one

C13H20N2O4 — CID 91098436

IUPAC1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCCC(N)C(=O)CO
InChIInChI=1S/C13H20N2O4/c1-9-13(19)11(17)5-7-15(9)6-3-2-4-10(14)12(18)8-16/h5,7,10,16,19H,2-4,6,8,14H2,1H3
InChIKeyKGGNCWQYHHMLBF-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.08
Rot. Bonds7

About 1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one

1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one (PubChem CID 91098436) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one
PubChem CID91098436
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCCC(N)C(=O)CO
InChIInChI=1S/C13H20N2O4/c1-9-13(19)11(17)5-7-15(9)6-3-2-4-10(14)12(18)8-16/h5,7,10,16,19H,2-4,6,8,14H2,1H3
InChIKeyKGGNCWQYHHMLBF-UHFFFAOYSA-N
XLogP-0.08
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
CID 25205018
3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
CID 19821577
1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one
CID 11600788
1-decyl-3-hydroxy-2-methylpyridin-4-one
CID 14956309
tris(1-butyl-3-hydroxy-2-methylpyridin-4-one);iron
CID 10531560
1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one
CID 82212099
4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-methylbutanamide
CID 10609176
3-hydroxy-2-methyl-1-propylpyridin-4-one;iron;hydrochloride
CID 67948190
3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl 4-methylbenzoate
CID 10266853
N-ethyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide
CID 14956315
bis(1-ethyl-3-hydroxy-2-methylpyridin-4-one);oxovanadium
CID 10883182
8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide
CID 101236639

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one (CID 91098436) is 1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1CCCCC(N)C(=O)CO.
What is the InChIKey of 1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is KGGNCWQYHHMLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-13(19)11(17)5-7-15(9)6-3-2-4-10(14)12(18)8-16/h5,7,10,16,19H,2-4,6,8,14H2,1H3.
What are the key properties of 1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one?
1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 268.31 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-7-hydroxy-6-oxoheptyl)-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 91098436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).