1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile

C14H18N2O3 — CID 19115139

IUPAC1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile
SMILESCCCCC(=O)c1c(C)c(C#N)c(=O)n(CC)c1O
InChIInChI=1S/C14H18N2O3/c1-4-6-7-11(17)12-9(3)10(8-15)13(18)16(5-2)14(12)19/h19H,4-7H2,1-3H3
InChIKeyIWNFKROPUDVWAE-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.13
Rot. Bonds5

About 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile

1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile (PubChem CID 19115139) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile
PubChem CID19115139
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile
SMILESCCCCC(=O)c1c(C)c(C#N)c(=O)n(CC)c1O
InChIInChI=1S/C14H18N2O3/c1-4-6-7-11(17)12-9(3)10(8-15)13(18)16(5-2)14(12)19/h19H,4-7H2,1-3H3
InChIKeyIWNFKROPUDVWAE-UHFFFAOYSA-N
XLogP2.13
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile (CID 19115139) is 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile is CCCCC(=O)c1c(C)c(C#N)c(=O)n(CC)c1O.
What is the InChIKey of 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile?
The InChIKey is IWNFKROPUDVWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-6-7-11(17)12-9(3)10(8-15)13(18)16(5-2)14(12)19/h19H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile?
1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile is sourced from PubChem (CID 19115139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).