SQ 3242

HCID 21780

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Basic information

CAS: 5588-11-4
Standard SMILES: Cc1ccc(C)n1NC(=O)c1ccncc1
InChIKey: BZSIVBPSSDJJOL-UHFFFAOYSA-N
Molecular formula: C12H13N3O
Average molar mass: 215.25 g/mol
Monoisotopic mass: 215.10586205

Names & identifiers

Preferred name: SQ 3242
IUPAC: N-(2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide

Names & synonyms

5588-11-4SQ 3242N-(2,5-Dimethylpyrrol-1-yl)isonicotinamideBRN 0188855DTXSID102044761-Isonicotinylamino-2,5-dimethylpyrrole [French]ISONICOTINAMIDE, N-(2,5-DIMETHYLPYRROL-1-YL)-1-Isonicotinylamino-2,5-dimethylpyrrole4-Pyridinecarboxamide, N-(2,5-dimethyl-1H-pyrrol-1-yl)-4-22-00-00560 (Beilstein Handbook Reference)RefChem:381242DTXCID10126967

Show more names

N-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine-4-carboxamideN-(2,5-dimethyl-1H-pyrrol-1-yl)isonicotinamideN-(2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamideMFCD017178931-(4-Pyridoyl)amino-2,5-dimethylpyrroleBionet2_001173CHEMBL3091886HMS1367F07

Database identifiers

CAS: 5588-11-4
PubChem CID: 21780
DTXSID: DTXSID10204476
ChEMBL: CHEMBL3091886
Nikkaji: J2.847.353B

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 46.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 241

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