4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile

C14H13N3OS — CID 6858423

IUPAC4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
SMILESCc1ccsc1/C=N/n1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C14H13N3OS/c1-9-4-5-19-13(9)8-16-17-11(3)6-10(2)12(7-15)14(17)18/h4-6,8H,1-3H3/b16-8+
InChIKeyGPMUCCNKDKUQNQ-LZYBPNLTSA-N
MW271.34 g/mol
LogP2.59
Rot. Bonds2

About 4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile

4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile (PubChem CID 6858423) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
PubChem CID6858423
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
SMILESCc1ccsc1/C=N/n1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C14H13N3OS/c1-9-4-5-19-13(9)8-16-17-11(3)6-10(2)12(7-15)14(17)18/h4-6,8H,1-3H3/b16-8+
InChIKeyGPMUCCNKDKUQNQ-LZYBPNLTSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-2-oxo-1-{[(1E)-thien-2-ylmethylene]amino}-1,2-dihydropyridine-3-carbonitrile
CID 9562888
4-methyl-3-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-6-oxo-1H-pyridazine-5-carbonitrile
CID 8416706
4,6-Dimethyl-2-oxo-1-{[1-(2-thienyl)ethylidene]amino}-1,2-dihydro-3-pyridinecarbonitrile
CID 5395410
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
4,6-Dimethyl-2-oxo-1-[(2-thienylmethylene)amino]-1,2-dihydro-3-pyridinecarboxamide
CID 5400909
1-{[(5-Bromo-2-thienyl)methylene]amino}-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 6873717
4,6-Dimethyl-1-{[(5-methylthien-2-yl)methylene]amino}-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 9562882
1-[(5-Bromothiophen-2-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 670440
4,6-Dimethyl-1-[(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 692074
4,6-Dimethyl-2-oxo-1-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide
CID 753719

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile (CID 6858423) is 4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile is Cc1ccsc1/C=N/n1c(C)cc(C)c(C#N)c1=O.
What is the InChIKey of 4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The InChIKey is GPMUCCNKDKUQNQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-4-5-19-13(9)8-16-17-11(3)6-10(2)12(7-15)14(17)18/h4-6,8H,1-3H3/b16-8+.
What are the key properties of 4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile?
4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile has a molecular weight of 271.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 6858423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).