6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile

C15H14FN3 — CID 133294986

IUPAC6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCc2cccc(F)c2)nc1
InChIInChI=1S/C15H14FN3/c16-14-5-1-3-12(9-14)4-2-8-18-15-7-6-13(10-17)11-19-15/h1,3,5-7,9,11H,2,4,8H2,(H,18,19)
InChIKeyUXSDMIPGVNWVIB-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.14
Rot. Bonds5

About 6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile

6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile (PubChem CID 133294986) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
PubChem CID133294986
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCc2cccc(F)c2)nc1
InChIInChI=1S/C15H14FN3/c16-14-5-1-3-12(9-14)4-2-8-18-15-7-6-13(10-17)11-19-15/h1,3,5-7,9,11H,2,4,8H2,(H,18,19)
InChIKeyUXSDMIPGVNWVIB-UHFFFAOYSA-N
XLogP3.14
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-fluorophenyl)propylamino]benzonitrile
CID 133295929
6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 133302426
3-[2-[(5-cyano-2-pyridinyl)amino]ethyl]benzoic acid
CID 63795126
6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 24694772
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide
CID 43566303
6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile
CID 47030143
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
CID 55084059
6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile
CID 133390213
6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile
CID 61220422

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile (CID 133294986) is 6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCCc2cccc(F)c2)nc1.
What is the InChIKey of 6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile?
The InChIKey is UXSDMIPGVNWVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-14-5-1-3-12(9-14)4-2-8-18-15-7-6-13(10-17)11-19-15/h1,3,5-7,9,11H,2,4,8H2,(H,18,19).
What are the key properties of 6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile?
6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133294986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).