6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile

C15H22N2O — CID 82523581

IUPAC6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)CCn1c(C(C)(C)C)ccc(C#N)c1=O
InChIInChI=1S/C15H22N2O/c1-11(2)8-9-17-13(15(3,4)5)7-6-12(10-16)14(17)18/h6-7,11H,8-9H2,1-5H3
InChIKeyPQISVUVVFXVZBO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.06
Rot. Bonds3

About 6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile

6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82523581) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
PubChem CID82523581
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)CCn1c(C(C)(C)C)ccc(C#N)c1=O
InChIInChI=1S/C15H22N2O/c1-11(2)8-9-17-13(15(3,4)5)7-6-12(10-16)14(17)18/h6-7,11H,8-9H2,1-5H3
InChIKeyPQISVUVVFXVZBO-UHFFFAOYSA-N
XLogP3.06
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (CID 82523581) is 6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is CC(C)CCn1c(C(C)(C)C)ccc(C#N)c1=O.
What is the InChIKey of 6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is PQISVUVVFXVZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)8-9-17-13(15(3,4)5)7-6-12(10-16)14(17)18/h6-7,11H,8-9H2,1-5H3.
What are the key properties of 6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 246.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82523581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).