6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile

C10H12N2OS — CID 130561478

IUPAC6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1CCCS
InChIInChI=1S/C10H12N2OS/c1-8-3-4-9(7-11)10(13)12(8)5-2-6-14/h3-4,14H,2,5-6H2,1H3
InChIKeyUTQFPCPOSPYWTQ-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.35
Rot. Bonds3

About 6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile

6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile (PubChem CID 130561478) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile
PubChem CID130561478
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1CCCS
InChIInChI=1S/C10H12N2OS/c1-8-3-4-9(7-11)10(13)12(8)5-2-6-14/h3-4,14H,2,5-6H2,1H3
InChIKeyUTQFPCPOSPYWTQ-UHFFFAOYSA-N
XLogP1.35
TPSA45.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099513
6-methyl-1-(3-methylsulfanylpropyl)-2-oxopyridine-3-carbonitrile
CID 107072997
5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
6-methyl-1-[2-(2-methylpropoxy)ethyl]-2-oxopyridine-3-carbonitrile
CID 107073006
1-(2-amino-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 82146932
6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
CID 107072857
1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099479
1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099441
1-[2-(4-bromophenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072852
6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile
CID 82147361
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methylacetamide
CID 82099506
1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 106439931

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile (CID 130561478) is 6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile is Cc1ccc(C#N)c(=O)n1CCCS.
What is the InChIKey of 6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile?
The InChIKey is UTQFPCPOSPYWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-8-3-4-9(7-11)10(13)12(8)5-2-6-14/h3-4,14H,2,5-6H2,1H3.
What are the key properties of 6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile?
6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130561478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).