6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile

C15H20N2O3 — CID 19115271

IUPAC6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile
SMILESCCCCC(=O)c1c(C)c(C#N)c(=O)n(CCC)c1O
InChIInChI=1S/C15H20N2O3/c1-4-6-7-12(18)13-10(3)11(9-16)14(19)17(8-5-2)15(13)20/h20H,4-8H2,1-3H3
InChIKeyAXDQBAQXTIKPFT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds6

About 6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile

6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile (PubChem CID 19115271) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile
PubChem CID19115271
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile
SMILESCCCCC(=O)c1c(C)c(C#N)c(=O)n(CCC)c1O
InChIInChI=1S/C15H20N2O3/c1-4-6-7-12(18)13-10(3)11(9-16)14(19)17(8-5-2)15(13)20/h20H,4-8H2,1-3H3
InChIKeyAXDQBAQXTIKPFT-UHFFFAOYSA-N
XLogP2.52
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile (CID 19115271) is 6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile is CCCCC(=O)c1c(C)c(C#N)c(=O)n(CCC)c1O.
What is the InChIKey of 6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile?
The InChIKey is AXDQBAQXTIKPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-6-7-12(18)13-10(3)11(9-16)14(19)17(8-5-2)15(13)20/h20H,4-8H2,1-3H3.
What are the key properties of 6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile?
6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 19115271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).