4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

C16H16FN3 — CID 81041452

IUPAC4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCc2cccc(F)c2)c(C#N)c(C)n1
InChIInChI=1S/C16H16FN3/c1-11-8-16(15(10-18)12(2)20-11)19-7-6-13-4-3-5-14(17)9-13/h3-5,8-9H,6-7H2,1-2H3,(H,19,20)
InChIKeyGSPHJZGCPQMOKP-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.36
Rot. Bonds4

About 4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81041452) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81041452
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCc2cccc(F)c2)c(C#N)c(C)n1
InChIInChI=1S/C16H16FN3/c1-11-8-16(15(10-18)12(2)20-11)19-7-6-13-4-3-5-14(17)9-13/h3-5,8-9H,6-7H2,1-2H3,(H,19,20)
InChIKeyGSPHJZGCPQMOKP-UHFFFAOYSA-N
XLogP3.36
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 81041452) is 4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCCc2cccc(F)c2)c(C#N)c(C)n1.
What is the InChIKey of 4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is GSPHJZGCPQMOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-11-8-16(15(10-18)12(2)20-11)19-7-6-13-4-3-5-14(17)9-13/h3-5,8-9H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 269.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81041452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).