4-(3-(N-2-pyridylmethylamino)propylthio]pyridine

HCID 19079176

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: c1ccc(CNCCCSc2ccncc2)nc1
InChIKey: OLKVVCYEYSWUFO-UHFFFAOYSA-N
Molecular formula: C14H17N3S
Average molar mass: 259.37 g/mol

Names & identifiers

Preferred name: 4-(3-(N-2-pyridylmethylamino)propylthio]pyridine
IUPAC: N-(pyridin-2-ylmethyl)-3-pyridin-4-ylsulfanylpropan-1-amine

Names & synonyms

4-(3-(N-2-pyridylmethylamino)propylthio]pyridine4-[3-(N-2-pyridylmethylamino)propylthio)pyridine4-[3-(N-2-pyridylmethylamino)propylthio]pyridineSCHEMBL8646441OLKVVCYEYSWUFO-UHFFFAOYSA-N4-[3-(N-2pyridylmethylamino)propylthio]pyridine

Database identifiers

PubChem CID: 19079176

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 63.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 207

Related reactions

18 records

New reaction record

HRID 6135As productuspto-grants-1993_09

HRID 6136As reactantuspto-grants-1993_09

HRID 6137As reactantuspto-grants-1993_09

HRID 186710As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 186987As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 274678As productuspto-grants-1995_02

HRID 274679As reactantuspto-grants-1995_02

HRID 274680As reactantuspto-grants-1995_02

Compound notes

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