1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C16H11BrN4O2 — CID 135956247

IUPAC1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(/N=C2\C(=O)Nc3ccc(Br)cc32)c(=O)c1C#N
InChIInChI=1S/C16H11BrN4O2/c1-8-5-9(2)21(16(23)12(8)7-18)20-14-11-6-10(17)3-4-13(11)19-15(14)22/h3-6H,1-2H3,(H,19,20,22)
InChIKeyGNGHJEBLBIOYQO-UHFFFAOYSA-N
MW371.19 g/mol
LogP2.30
Rot. Bonds1

About 1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 135956247) has the molecular formula C16H11BrN4O2 and a molecular weight of 371.19 g/mol. Its IUPAC name is 1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID135956247
Molecular FormulaC16H11BrN4O2
Molecular Weight371.19 g/mol
Exact Mass370.01
IUPAC Name1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(/N=C2\C(=O)Nc3ccc(Br)cc32)c(=O)c1C#N
InChIInChI=1S/C16H11BrN4O2/c1-8-5-9(2)21(16(23)12(8)7-18)20-14-11-6-10(17)3-4-13(11)19-15(14)22/h3-6H,1-2H3,(H,19,20,22)
InChIKeyGNGHJEBLBIOYQO-UHFFFAOYSA-N
XLogP2.30
TPSA87.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 52.30
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

4,6-dimethyl-2-oxo-1-[(2-oxo-1H-indol-3-ylidene)amino]pyridine-3-carbonitrile
CID 135494823
1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 717796
(3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one
CID 135703568
5-bromo-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one
CID 135412424
1-[(E)-(5-bromothiophen-2-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 6873717
5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one
CID 135420156
1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 135560188
6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 139215624
5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
CID 135559321
4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 5395413
5-bromo-3-(4-bromo-3-chloro-2-methylphenyl)imino-1H-indol-2-one
CID 135559340
4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 5397001

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 135956247) is 1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(/N=C2\C(=O)Nc3ccc(Br)cc32)c(=O)c1C#N.
What is the InChIKey of 1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is GNGHJEBLBIOYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O2/c1-8-5-9(2)21(16(23)12(8)7-18)20-14-11-6-10(17)3-4-13(11)19-15(14)22/h3-6H,1-2H3,(H,19,20,22).
What are the key properties of 1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 371.19 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135956247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).