ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate

C18H14N6O — CID 101247882

IUPACethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate
SMILES[H]/N=C(\OCC)c1nc(-c2ccccn2)c(-c2ccccn2)nc1C#N
InChIInChI=1S/C18H14N6O/c1-2-25-18(20)17-14(11-19)23-15(12-7-3-5-9-21-12)16(24-17)13-8-4-6-10-22-13/h3-10,20H,2H2,1H3/b20-18-
InChIKeyVPCLHLMVMSRUTO-ZZEZOPTASA-N
MW330.35 g/mol
LogP2.83
Rot. Bonds4

About ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate

ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate (PubChem CID 101247882) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate.

Molecular Properties

Compound Nameethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate
PubChem CID101247882
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Nameethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate
SMILES[H]/N=C(\OCC)c1nc(-c2ccccn2)c(-c2ccccn2)nc1C#N
InChIInChI=1S/C18H14N6O/c1-2-25-18(20)17-14(11-19)23-15(12-7-3-5-9-21-12)16(24-17)13-8-4-6-10-22-13/h3-10,20H,2H2,1H3/b20-18-
InChIKeyVPCLHLMVMSRUTO-ZZEZOPTASA-N
XLogP2.83
TPSA108.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl isoquinoline-1-carboximidate
CID 63949879
4,5-dimethyl-6-pyridin-2-ylpyridine-2,3-dicarbonitrile
CID 18716383
ethyl quinazoline-2-carboximidate
CID 151326271
5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
CID 21026689
diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
CID 174651960
ethyl 4-[6-[4-(C-ethoxycarbonimidoyl)phenyl]-2-methylpyrimidin-4-yl]benzenecarboximidate
CID 10786513
propane;2-pyridin-2-ylpyridine
CID 158168510
ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 601590
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
ethyl 2-(2-methyl-3-pyridinyl)ethanimidate
CID 19099344
ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride
CID 20505253
ethyl 5-(4-pyridin-2-ylphenyl)-2H-triazole-4-carboxylate
CID 169399077

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate?
The IUPAC name of ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate (CID 101247882) is ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate.
What is the SMILES notation for ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate?
The canonical SMILES for ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate is [H]/N=C(\OCC)c1nc(-c2ccccn2)c(-c2ccccn2)nc1C#N.
What is the InChIKey of ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate?
The InChIKey is VPCLHLMVMSRUTO-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H14N6O/c1-2-25-18(20)17-14(11-19)23-15(12-7-3-5-9-21-12)16(24-17)13-8-4-6-10-22-13/h3-10,20H,2H2,1H3/b20-18-.
What are the key properties of ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate?
ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate has a molecular weight of 330.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-5,6-dipyridin-2-ylpyrazine-2-carboximidate is sourced from PubChem (CID 101247882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).