1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

C13H19N3O2 — CID 59712700

IUPAC1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(CCCN(C)C)c(=O)c1C#N
InChIInChI=1S/C13H19N3O2/c1-9-10(2)12(17)16(7-5-6-15(3)4)13(18)11(9)8-14/h17H,5-7H2,1-4H3
InChIKeyCXRXRFGMHTXADZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.99
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 59712700) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID59712700
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(CCCN(C)C)c(=O)c1C#N
InChIInChI=1S/C13H19N3O2/c1-9-10(2)12(17)16(7-5-6-15(3)4)13(18)11(9)8-14/h17H,5-7H2,1-4H3
InChIKeyCXRXRFGMHTXADZ-UHFFFAOYSA-N
XLogP0.99
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (CID 59712700) is 1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C)c(O)n(CCCN(C)C)c(=O)c1C#N.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is CXRXRFGMHTXADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-10(2)12(17)16(7-5-6-15(3)4)13(18)11(9)8-14/h17H,5-7H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
1-[3-(dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 249.31 g/mol, XLogP of 0.99, 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]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 59712700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).