4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile

C16H12N4O2 — CID 135494823

IUPAC4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile
SMILESCc1cc(C)n(N=C2C(=O)Nc3ccccc32)c(=O)c1C#N
InChIInChI=1S/C16H12N4O2/c1-9-7-10(2)20(16(22)12(9)8-17)19-14-11-5-3-4-6-13(11)18-15(14)21/h3-7H,1-2H3,(H,18,19,21)
InChIKeyAIUIALDKKDLBQQ-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.54
Rot. Bonds1

About 4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile

4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile (PubChem CID 135494823) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile
PubChem CID135494823
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile
SMILESCc1cc(C)n(N=C2C(=O)Nc3ccccc32)c(=O)c1C#N
InChIInChI=1S/C16H12N4O2/c1-9-7-10(2)20(16(22)12(9)8-17)19-14-11-5-3-4-6-13(11)18-15(14)21/h3-7H,1-2H3,(H,18,19,21)
InChIKeyAIUIALDKKDLBQQ-UHFFFAOYSA-N
XLogP1.54
TPSA87.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 135956247
4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile
CID 44725249
4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile
CID 5428078
4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 5395413
4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 5397001
1-[(E)-(5-bromothiophen-2-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 6873717
2-[(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135484693
4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile
CID 16750986
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 23351951
1-[(Z)-(3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 5397033
3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one
CID 135582235
4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 750182

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile (CID 135494823) is 4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile is Cc1cc(C)n(N=C2C(=O)Nc3ccccc32)c(=O)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile?
The InChIKey is AIUIALDKKDLBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-9-7-10(2)20(16(22)12(9)8-17)19-14-11-5-3-4-6-13(11)18-15(14)21/h3-7H,1-2H3,(H,18,19,21).
What are the key properties of 4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile?
4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile has a molecular weight of 292.30 g/mol, XLogP of 1.54, 1 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-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 135494823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).