1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C12H17N3O2 — CID 3016231

IUPAC1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(CCCN(C)C)c(O)c1C#N
InChIInChI=1S/C12H17N3O2/c1-9-7-11(16)15(6-4-5-14(2)3)12(17)10(9)8-13/h7,17H,4-6H2,1-3H3
InChIKeyQIXISRVIJBHLCE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.69
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 3016231) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID3016231
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(CCCN(C)C)c(O)c1C#N
InChIInChI=1S/C12H17N3O2/c1-9-7-11(16)15(6-4-5-14(2)3)12(17)10(9)8-13/h7,17H,4-6H2,1-3H3
InChIKeyQIXISRVIJBHLCE-UHFFFAOYSA-N
XLogP0.69
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 3016231) is 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is Cc1cc(=O)n(CCCN(C)C)c(O)c1C#N.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is QIXISRVIJBHLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-7-11(16)15(6-4-5-14(2)3)12(17)10(9)8-13/h7,17H,4-6H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3016231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).