2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile

C15H14FN3 — CID 134032175

IUPAC2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile
SMILESCC(c1ccc(F)cc1)N(C)c1ncccc1C#N
InChIInChI=1S/C15H14FN3/c1-11(12-5-7-14(16)8-6-12)19(2)15-13(10-17)4-3-9-18-15/h3-9,11H,1-2H3
InChIKeyUYBLLQNPLZVIIE-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.29
Rot. Bonds3

About 2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile

2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile (PubChem CID 134032175) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile
PubChem CID134032175
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile
SMILESCC(c1ccc(F)cc1)N(C)c1ncccc1C#N
InChIInChI=1S/C15H14FN3/c1-11(12-5-7-14(16)8-6-12)19(2)15-13(10-17)4-3-9-18-15/h3-9,11H,1-2H3
InChIKeyUYBLLQNPLZVIIE-UHFFFAOYSA-N
XLogP3.29
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile
CID 65488782
2-fluoropyridine-3-carbonitrile
CID 2783254
2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile
CID 133356712
2-(diethylamino)pyridine-3-carbonitrile
CID 10012430
2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile
CID 107735136
2-(dichloromethyl)pyridine-3-carbonitrile
CID 86039056
N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467718
2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile
CID 62002258
2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 65428183
2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide
CID 84600498
2-(N-ethylanilino)pyridine-3-carbonitrile
CID 24708158
3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297463

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile (CID 134032175) is 2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile is CC(c1ccc(F)cc1)N(C)c1ncccc1C#N.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile?
The InChIKey is UYBLLQNPLZVIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-11(12-5-7-14(16)8-6-12)19(2)15-13(10-17)4-3-9-18-15/h3-9,11H,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile?
2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethyl-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 134032175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).