(5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide

C19H9N7 — CID 10854245

IUPAC(5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide
SMILESN#C/N=C1\c2ccccc2/C(=N\C#N)c2nc(-c3cccnc3)cnc21
InChIInChI=1S/C19H9N7/c20-10-24-16-13-5-1-2-6-14(13)17(25-11-21)19-18(16)23-9-15(26-19)12-4-3-7-22-8-12/h1-9H/b24-16+,25-17+
InChIKeyWRZZUEMKXBUHDI-MUPYBJATSA-N
MW335.33 g/mol
LogP2.49
Rot. Bonds1

About (5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide

(5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide (PubChem CID 10854245) has the molecular formula C19H9N7 and a molecular weight of 335.33 g/mol. Its IUPAC name is (5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide.

Molecular Properties

Compound Name(5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide
PubChem CID10854245
Molecular FormulaC19H9N7
Molecular Weight335.33 g/mol
Exact Mass335.09
IUPAC Name(5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide
SMILESN#C/N=C1\c2ccccc2/C(=N\C#N)c2nc(-c3cccnc3)cnc21
InChIInChI=1S/C19H9N7/c20-10-24-16-13-5-1-2-6-14(13)17(25-11-21)19-18(16)23-9-15(26-19)12-4-3-7-22-8-12/h1-9H/b24-16+,25-17+
InChIKeyWRZZUEMKXBUHDI-MUPYBJATSA-N
XLogP2.49
TPSA110.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride;hexahydrate
CID 175003948
2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile
CID 71732783
2,6-dipyridin-3-ylpyridine
CID 13349632
3-(2-methylphenyl)pyridine
CID 4133191
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine
CID 162656267
3-bromo-5-pyridin-3-ylpyrazin-2-amine
CID 139409463
2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 58090487
2,3-dipyridin-3-ylpyridine;methane
CID 174971096
2,3-dipyridin-3-ylpyridine;hydrobromide
CID 175062851

Frequently Asked Questions

What is the IUPAC name of (5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide?
The IUPAC name of (5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide (CID 10854245) is (5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide.
What is the SMILES notation for (5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide?
The canonical SMILES for (5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide is N#C/N=C1\c2ccccc2/C(=N\C#N)c2nc(-c3cccnc3)cnc21.
What is the InChIKey of (5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide?
The InChIKey is WRZZUEMKXBUHDI-MUPYBJATSA-N. The full InChI is InChI=1S/C19H9N7/c20-10-24-16-13-5-1-2-6-14(13)17(25-11-21)19-18(16)23-9-15(26-19)12-4-3-7-22-8-12/h1-9H/b24-16+,25-17+.
What are the key properties of (5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide?
(5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide has a molecular weight of 335.33 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyanoimino-3-pyridin-3-ylbenzo[g]quinoxalin-10-ylidene)cyanamide is sourced from PubChem (CID 10854245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).