Isonicotinamide, N-(3-(5-methoxy-3-indolyl)propyl)-

HCID 51664

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Basic information

CAS: 72612-10-3
Standard SMILES: COc1ccc2[nH]cc(CCCNC(=O)c3ccncc3)c2c1
InChIKey: LOBHEUKBDZAKFC-UHFFFAOYSA-N
Molecular formula: C18H19N3O2
Average molar mass: 309.4 g/mol
Monoisotopic mass: 309.14772686

Names & identifiers

Preferred name: Isonicotinamide, N-(3-(5-methoxy-3-indolyl)propyl)-
IUPAC: N-[3-(5-methoxy-1H-indol-3-yl)propyl]pyridine-4-carboxamide

Names & synonyms

BRN 0429011N-(3-(5-Methoxy-3-indolyl)propyl)isonicotinamide72612-10-3ISONICOTINAMIDE, N-(3-(5-METHOXY-3-INDOLYL)PROPYL)-DTXSID70222939RefChem:349646DTXCID50145430N-[3-(5-methoxy-1H-indol-3-yl)propyl]pyridine-4-carboxamide

Database identifiers

CAS: 72612-10-3
PubChem CID: 51664
DTXSID: DTXSID70222939
Nikkaji: J68.636K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 67 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 384

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