1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one

C12H20N2O2 — CID 82212099

IUPAC1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCCN(C)C
InChIInChI=1S/C12H20N2O2/c1-10-12(16)11(15)6-9-14(10)8-5-4-7-13(2)3/h6,9,16H,4-5,7-8H2,1-3H3
InChIKeyXTLAVTDSLKASEM-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.20
Rot. Bonds5

About 1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one

1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one (PubChem CID 82212099) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one
PubChem CID82212099
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCCN(C)C
InChIInChI=1S/C12H20N2O2/c1-10-12(16)11(15)6-9-14(10)8-5-4-7-13(2)3/h6,9,16H,4-5,7-8H2,1-3H3
InChIKeyXTLAVTDSLKASEM-UHFFFAOYSA-N
XLogP1.20
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one (CID 82212099) is 1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1CCCCN(C)C.
What is the InChIKey of 1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is XTLAVTDSLKASEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-12(16)11(15)6-9-14(10)8-5-4-7-13(2)3/h6,9,16H,4-5,7-8H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one?
1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 224.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 82212099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).