6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile

C15H20N2O — CID 82523553

IUPAC6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(C#N)c(=O)n1C1CCCC1
InChIInChI=1S/C15H20N2O/c1-15(2,3)13-9-8-11(10-16)14(18)17(13)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyUUUOYQYOHLRKNK-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.13
Rot. Bonds1

About 6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile

6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile (PubChem CID 82523553) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile
PubChem CID82523553
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(C#N)c(=O)n1C1CCCC1
InChIInChI=1S/C15H20N2O/c1-15(2,3)13-9-8-11(10-16)14(18)17(13)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3
InChIKeyUUUOYQYOHLRKNK-UHFFFAOYSA-N
XLogP3.13
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.13
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-cyclopentyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile (CID 82523553) is 6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile is CC(C)(C)c1ccc(C#N)c(=O)n1C1CCCC1.
What is the InChIKey of 6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile?
The InChIKey is UUUOYQYOHLRKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)13-9-8-11(10-16)14(18)17(13)12-6-4-5-7-12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile?
6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82523553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).