N-(5-methylpyridin-2-yl)-3-(5-methylpyridin-2-yl)iminoisoindol-1-amine

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Basic information

CAS: 61702-02-1
Standard SMILES: Cc1ccc(N=C2N=C(Nc3ccc(C)cn3)c3ccccc32)nc1
InChIKey: DMMPCCQYDPXFGZ-UHFFFAOYSA-N
Molecular formula: C20H17N5
Average molar mass: 327.4 g/mol
Monoisotopic mass: 327.14839556

Names & identifiers

Preferred name: N-(5-methylpyridin-2-yl)-3-(5-methylpyridin-2-yl)iminoisoindol-1-amine
IUPAC: N-(5-methyl-2-pyridinyl)-3-[(5-methyl-2-pyridinyl)imino]isoindol-1-amine

Names & synonyms

61702-02-1NSC297596N-(5-methylpyridin-2-yl)-3-(5-methylpyridin-2-yl)iminoisoindol-1-amineSCHEMBL11206167SCHEMBL11206172DTXSID60315824NSC-297596(1Z)-N-(5-Methylpyridin-2-yl)-1-[(5-methylpyridin-2-yl)imino]-1H-isoindol-3-amine

Database identifiers

CAS: 61702-02-1
PubChem CID: 326381
DTXSID: DTXSID60315824
Nikkaji: J2.118.262A

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 62.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 528

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Compound notes

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