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

C16H16FN3 — CID 32682078

IUPAC2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCc2ccccc2F)n1
InChIInChI=1S/C16H16FN3/c1-11-9-12(2)20-16(14(11)10-18)19-8-7-13-5-3-4-6-15(13)17/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKeyYMCNESURJBKJJL-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.36
Rot. Bonds4

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

2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 32682078) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID32682078
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCc2ccccc2F)n1
InChIInChI=1S/C16H16FN3/c1-11-9-12(2)20-16(14(11)10-18)19-8-7-13-5-3-4-6-15(13)17/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKeyYMCNESURJBKJJL-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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Related Compounds

4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
CID 32677882
2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383463
2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 43395438
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 54934414
6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 79749151
2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 107106323
4-N-[2-(2-fluorophenyl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80786040
4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 103744395
2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80785003
3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107056743
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 32682078) is 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCCc2ccccc2F)n1.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is YMCNESURJBKJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-11-9-12(2)20-16(14(11)10-18)19-8-7-13-5-3-4-6-15(13)17/h3-6,9H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[2-(2-fluorophenyl)ethylamino]-4,6-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 2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 32682078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).