4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile

C13H11N3OS — CID 717789

IUPAC4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile
SMILESCc1cc(C)n(N=Cc2cccs2)c(=O)c1C#N
InChIInChI=1S/C13H11N3OS/c1-9-6-10(2)16(13(17)12(9)7-14)15-8-11-4-3-5-18-11/h3-6,8H,1-2H3
InChIKeyAOQNMWIYQMEJHC-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.28
Rot. Bonds2

About 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile

4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile (PubChem CID 717789) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile
PubChem CID717789
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile
SMILESCc1cc(C)n(N=Cc2cccs2)c(=O)c1C#N
InChIInChI=1S/C13H11N3OS/c1-9-6-10(2)16(13(17)12(9)7-14)15-8-11-4-3-5-18-11/h3-6,8H,1-2H3
InChIKeyAOQNMWIYQMEJHC-UHFFFAOYSA-N
XLogP2.28
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile (CID 717789) is 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile is Cc1cc(C)n(N=Cc2cccs2)c(=O)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile?
The InChIKey is AOQNMWIYQMEJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-9-6-10(2)16(13(17)12(9)7-14)15-8-11-4-3-5-18-11/h3-6,8H,1-2H3.
What are the key properties of 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile?
4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile has a molecular weight of 257.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carbonitrile is sourced from PubChem (CID 717789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).