6-((2-Hydroxyethyl)amino)-4-methyl-2-((3-(2-phenoxyethoxy)propyl)amino)nicotinonitrile

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Basic information

CAS: 58444-23-8
Standard SMILES: Cc1cc(NCCO)nc(NCCCOCCOc2ccccc2)c1C#N
InChIKey: JZFSKHDCPOQSBP-UHFFFAOYSA-N
Molecular formula: C20H26N4O3
Average molar mass: 370.4 g/mol
Monoisotopic mass: 370.2004907

Names & identifiers

Preferred name: 6-((2-Hydroxyethyl)amino)-4-methyl-2-((3-(2-phenoxyethoxy)propyl)amino)nicotinonitrile
IUPAC: 6-(2-hydroxyethylamino)-4-methyl-2-[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile
English name: 6-[(2-hydroxyethyl)amino]-4-methyl-2-[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile
Molecular formula: C20H26N4O3
Molecular weight: 370.45

Names & synonyms

58444-23-86-((2-Hydroxyethyl)amino)-4-methyl-2-((3-(2-phenoxyethoxy)propyl)amino)nicotinonitrileEINECS 261-256-9DTXSID90207142JZFSKHDCPOQSBP-UHFFFAOYSA-N6-[(2-hydroxyethyl)amino]-4-methyl-2-{[3-(2-phenoxyethoxy)propyl]amino}pyridine-3-carbonitrileDB-296421NS000339276-[(2-Hydroxyethyl)amino]-4-methyl-2-[[3-(2-phenoxyethoxy)propyl ]amino]nicotinonitrile6-[(2-hydroxyethyl)amino]-4-methyl-2-[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile6-[(2-hydroxyethyl)amino]-4-methyl-2-[[3-(2-phenoxyethoxy)propyl]amino]-3-Pyridinecarbonitrile3-Pyridinecarbonitrile, 6-[(2-hydroxyethyl)amino]-4-methyl-2-[[3-(2-phenoxyethoxy)propyl]amino]-

Database identifiers

CAS: 58444-23-8
PubChem CID: 94049
DTXSID: DTXSID90207142
EC Number: 261-256-9
Nikkaji: J296.940H

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 99.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 12
Heavy atoms: 27
Formal charge: 0
Complexity: 436

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Compound notes

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