4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide

C13H13N3O2S — CID 5400909

IUPAC4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESCc1cc(C)n(/N=C\c2cccs2)c(=O)c1C(N)=O
InChIInChI=1S/C13H13N3O2S/c1-8-6-9(2)16(13(18)11(8)12(14)17)15-7-10-4-3-5-19-10/h3-7H,1-2H3,(H2,14,17)/b15-7-
InChIKeyPNAWDDMOBGVRNA-CHHVJCJISA-N
MW275.33 g/mol
LogP1.51
Rot. Bonds3

About 4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide

4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide (PubChem CID 5400909) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide
PubChem CID5400909
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESCc1cc(C)n(/N=C\c2cccs2)c(=O)c1C(N)=O
InChIInChI=1S/C13H13N3O2S/c1-8-6-9(2)16(13(18)11(8)12(14)17)15-7-10-4-3-5-19-10/h3-7H,1-2H3,(H2,14,17)/b15-7-
InChIKeyPNAWDDMOBGVRNA-CHHVJCJISA-N
XLogP1.51
TPSA77.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
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-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide (CID 5400909) is 4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide is Cc1cc(C)n(/N=C\c2cccs2)c(=O)c1C(N)=O.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide?
The InChIKey is PNAWDDMOBGVRNA-CHHVJCJISA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8-6-9(2)16(13(18)11(8)12(14)17)15-7-10-4-3-5-19-10/h3-7H,1-2H3,(H2,14,17)/b15-7-.
What are the key properties of 4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide?
4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-1-[(Z)-thiophen-2-ylmethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5400909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).