N-(3-hydroxypropyl)pyridine-4-carboxamide

Substructure search Find similar structures

Basic information

CAS: 90437-45-9
Standard SMILES: O=C(NCCCO)c1ccncc1
InChIKey: BUKPLUSBDNCVQC-UHFFFAOYSA-N
Molecular formula: C9H12N2O2
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.08987763

Names & identifiers

Preferred name: N-(3-hydroxypropyl)pyridine-4-carboxamide
IUPAC: N-(3-hydroxypropyl)pyridine-4-carboxamide

Names & synonyms

N-(3-hydroxypropyl)pyridine-4-carboxamideSCHEMBL3513082SCHEMBL3513083SCHEMBL10914555DTXSID501272134HMS1649C11STL281696AKOS003621464SDCCGMLS-0065454.P00190437-45-9N-(3-Hydroxypropyl)-4-pyridinecarboxamide

Database identifiers

CAS: 90437-45-9
PubChem CID: 5149477
DTXSID: DTXSID501272134

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 62.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 156

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…