1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile

C14H14N2OS — CID 82516710

IUPAC1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCC(C)Cn1c(-c2cccs2)ccc(C#N)c1=O
InChIInChI=1S/C14H14N2OS/c1-10(2)9-16-12(13-4-3-7-18-13)6-5-11(8-15)14(16)17/h3-7,10H,9H2,1-2H3
InChIKeyOFEAAZMZCLDWET-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.10
Rot. Bonds3

About 1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile

1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 82516710) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID82516710
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCC(C)Cn1c(-c2cccs2)ccc(C#N)c1=O
InChIInChI=1S/C14H14N2OS/c1-10(2)9-16-12(13-4-3-7-18-13)6-5-11(8-15)14(16)17/h3-7,10H,9H2,1-2H3
InChIKeyOFEAAZMZCLDWET-UHFFFAOYSA-N
XLogP3.10
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)-2-methylpropanethioamide
CID 82147595
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063
1-[(3-cyanophenyl)methyl]-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile
CID 94751210
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160
2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid
CID 82146644
2-(1-butyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)acetonitrile
CID 82516724
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
1-prop-2-ynyl-2,5-dithiophen-2-ylpyrrole
CID 139190557
3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one
CID 82516774
1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one
CID 82516756
6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile
CID 107072821
6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82523581

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile (CID 82516710) is 1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile is CC(C)Cn1c(-c2cccs2)ccc(C#N)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is OFEAAZMZCLDWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10(2)9-16-12(13-4-3-7-18-13)6-5-11(8-15)14(16)17/h3-7,10H,9H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile?
1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 82516710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).