6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile

C13H18N2O — CID 107072821

IUPAC6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile
SMILESCCCC(C)Cn1c(C)ccc(C#N)c1=O
InChIInChI=1S/C13H18N2O/c1-4-5-10(2)9-15-11(3)6-7-12(8-14)13(15)16/h6-7,10H,4-5,9H2,1-3H3
InChIKeyRBLKINLKRBEGNS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.46
Rot. Bonds4

About 6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile

6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile (PubChem CID 107072821) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile
PubChem CID107072821
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile
SMILESCCCC(C)Cn1c(C)ccc(C#N)c1=O
InChIInChI=1S/C13H18N2O/c1-4-5-10(2)9-15-11(3)6-7-12(8-14)13(15)16/h6-7,10H,4-5,9H2,1-3H3
InChIKeyRBLKINLKRBEGNS-UHFFFAOYSA-N
XLogP2.46
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile (CID 107072821) is 6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile is CCCC(C)Cn1c(C)ccc(C#N)c1=O.
What is the InChIKey of 6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is RBLKINLKRBEGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-5-10(2)9-15-11(3)6-7-12(8-14)13(15)16/h6-7,10H,4-5,9H2,1-3H3.
What are the key properties of 6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile?
6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 107072821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).