1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile

C10H12N2O — CID 22266483

IUPAC1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(C)c(C)cc(C#N)c1=O
InChIInChI=1S/C10H12N2O/c1-4-12-8(3)7(2)5-9(6-11)10(12)13/h5H,4H2,1-3H3
InChIKeyJKHVEAPJTOHKSU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.36
Rot. Bonds1

About 1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile

1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 22266483) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID22266483
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(C)c(C)cc(C#N)c1=O
InChIInChI=1S/C10H12N2O/c1-4-12-8(3)7(2)5-9(6-11)10(12)13/h5H,4H2,1-3H3
InChIKeyJKHVEAPJTOHKSU-UHFFFAOYSA-N
XLogP1.36
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 22266483) is 1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile is CCn1c(C)c(C)cc(C#N)c1=O.
What is the InChIKey of 1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is JKHVEAPJTOHKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-12-8(3)7(2)5-9(6-11)10(12)13/h5H,4H2,1-3H3.
What are the key properties of 1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 22266483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).