N-[1-[6-[C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide

HCID 357907

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Basic information

CAS: 147662-13-3
Standard SMILES: CC(=NNC(=O)c1cccnc1)c1cccc(C(C)=NNC(=O)c2cccnc2)n1
InChIKey: KTIMZDVPCGKQRT-UHFFFAOYSA-N
Molecular formula: C21H19N7O2
Average molar mass: 401.4 g/mol
Monoisotopic mass: 401.16002287

Names & identifiers

Preferred name: N-[1-[6-[C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide
IUPAC: N-[1-[6-[C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]pyridine-3-carboxamide

Names & synonyms

147662-13-3N-[1-[6-[C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamideDTXSID80933180NCI60_0052712,6-diacetylpyridine-bis(nicotinoylhydrazone)N,N'-[Pyridine-2,6-diyldi(eth-1-yl-1-ylidene)]di(pyridine-3-carbohydrazonic acid)N,N'-[Pyridine-2,6-diyldi(ethan-1-yl-1-ylidene)]di(pyridine-3-carbohydrazonic acid)

Database identifiers

CAS: 147662-13-3
PubChem CID: 357907
DTXSID: DTXSID80933180

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 122 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 30
Formal charge: 0
Complexity: 610

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