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

C13H13N3O2S — CID 753719

IUPAC4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide
SMILESCc1cc(C)n(N=Cc2cccs2)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)
InChIKeyPNAWDDMOBGVRNA-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.51
Rot. Bonds3

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

4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide (PubChem CID 753719) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide
PubChem CID753719
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide
SMILESCc1cc(C)n(N=Cc2cccs2)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)
InChIKeyPNAWDDMOBGVRNA-UHFFFAOYSA-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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Related Compounds

N-propan-2-yl-N'-[(E)-thiophen-2-ylmethylideneamino]propanediamide
CID 6065517
4,6-dimethyl-2-oxo-1-{[(1E)-thien-2-ylmethylene]amino}-1,2-dihydropyridine-3-carbonitrile
CID 9562888
N-((1E)-2-(2-thienyl)-1-azavinyl)-N'-prop-2-enylpropane-1,3-diamide
CID 9591789
4,6-Dimethyl-2-oxo-1-{[1-(2-thienyl)ethylidene]amino}-1,2-dihydro-3-pyridinecarbonitrile
CID 5395410
7-methyl-1-(2-thienylmethyl)pyrido[3,4-d]pyridazine-4,5(3H,6H)-dione
CID 24101587
4,6-Dimethyl-2-oxo-1-(1-thiophen-2-ylethylideneamino)pyridine-3-carbonitrile
CID 698544
4,6-Dimethyl-1-[(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 717701
4,6-Dimethyl-2-oxo-1-[(2-thienylmethylene)amino]-1,2-dihydro-3-pyridinecarbonitrile
CID 717789
N-prop-2-enyl-N'-(thiophen-2-ylmethylideneamino)propanediamide
CID 3105060
N-propan-2-yl-N'-(thiophen-2-ylmethylideneamino)propanediamide
CID 3114016
4,6-Dimethyl-2-oxo-1-[(2-thienylmethylene)amino]-1,2-dihydro-3-pyridinecarboxamide
CID 5400909
4,6-dimethyl-1-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 6858423

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide (CID 753719) is 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide is Cc1cc(C)n(N=Cc2cccs2)c(=O)c1C(N)=O.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide?
The InChIKey is PNAWDDMOBGVRNA-UHFFFAOYSA-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).
What are the key properties of 4,6-dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide?
4,6-dimethyl-2-oxo-1-(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-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide is sourced from PubChem (CID 753719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).