Pyrazinamine, N-[2-(4-pyridinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-

HCID 11639209

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Basic information

CAS: 821783-82-8
Standard SMILES: COc1cc(-c2cnc(NCCc3ccncc3)cn2)cc(OC)c1OC
InChIKey: FUMUAJDSRAMUKF-UHFFFAOYSA-N
Molecular formula: C20H22N4O3
Average molar mass: 366.4 g/mol
Monoisotopic mass: 366.16919058

Names & identifiers

Preferred name: Pyrazinamine, N-[2-(4-pyridinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-
IUPAC: N-(2-pyridin-4-ylethyl)-5-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

Names & synonyms

821783-82-8Pyrazinamine, N-[2-(4-pyridinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-DTXSID20469872N-[2-(Pyridin-4-yl)ethyl]-5-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

Database identifiers

CAS: 821783-82-8
PubChem CID: 11639209
DTXSID: DTXSID20469872

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 78.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 408

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