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

C14H13N3OS — CID 698544

IUPAC4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile
SMILESCC(=Nn1c(C)cc(C)c(C#N)c1=O)c1cccs1
InChIInChI=1S/C14H13N3OS/c1-9-7-10(2)17(14(18)12(9)8-15)16-11(3)13-5-4-6-19-13/h4-7H,1-3H3
InChIKeyDVBIPPBYZQJRNM-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.67
Rot. Bonds2

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

4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile (PubChem CID 698544) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile
PubChem CID698544
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile
SMILESCC(=Nn1c(C)cc(C)c(C#N)c1=O)c1cccs1
InChIInChI=1S/C14H13N3OS/c1-9-7-10(2)17(14(18)12(9)8-15)16-11(3)13-5-4-6-19-13/h4-7H,1-3H3
InChIKeyDVBIPPBYZQJRNM-UHFFFAOYSA-N
XLogP2.67
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.67
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-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile (CID 698544) is 4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile is CC(=Nn1c(C)cc(C)c(C#N)c1=O)c1cccs1.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile?
The InChIKey is DVBIPPBYZQJRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-7-10(2)17(14(18)12(9)8-15)16-11(3)13-5-4-6-19-13/h4-7H,1-3H3.
What are the key properties of 4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile?
4,6-dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile has a molecular weight of 271.34 g/mol, XLogP of 2.67, 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-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile is sourced from PubChem (CID 698544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).