4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile

C16H16FN3 — CID 81060103

IUPAC4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCN(c1cccc(F)c1)c1cc(C)nc(C)c1C#N
InChIInChI=1S/C16H16FN3/c1-4-20(14-7-5-6-13(17)9-14)16-8-11(2)19-12(3)15(16)10-18/h5-9H,4H2,1-3H3
InChIKeySYCRHJXIYMNSPG-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.87
Rot. Bonds3

About 4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile

4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060103) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060103
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCN(c1cccc(F)c1)c1cc(C)nc(C)c1C#N
InChIInChI=1S/C16H16FN3/c1-4-20(14-7-5-6-13(17)9-14)16-8-11(2)19-12(3)15(16)10-18/h5-9H,4H2,1-3H3
InChIKeySYCRHJXIYMNSPG-UHFFFAOYSA-N
XLogP3.87
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-(6-Methylpyridin-2-yl)ethynyl)-5-fluorobenzonitrile
CID 46208250
6-(Cyano(4-fluorophenyl)methyl)-3-methylpicolinonitrile (26)
CID 56604871
6-(Cyano(4-fluorophenyl)methyl)picolinonitrile (25)
CID 56851824
1-Benzyl-4-(dimethylamino)pyridinium
CID 650665
3-Phenyl-2-(pyridin-2-yl)prop-2-enenitrile
CID 6065026
3-(4-Dimethyl-aminophenyl)-2-(pyridin-2-yl)acrylonitrile
CID 6277064
2-Methyl-4-pyrrolidin-1-yl-6-[(E)-2-(3-trifluoromethyl-phenyl)-vinyl]-pyridine
CID 9840567
(Z)-3-[4-(diethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile
CID 5867608
(Z)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]-2-pyridin-2-ylprop-2-enenitrile
CID 6153030
2-{[4-(2-Fluorobenzyl)-1-piperidinyl]methyl}-6-methylpyridine
CID 29152007
6-[2-(3-Cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile
CID 70689178
3-[2-(6-Fluoro-2-pyridinyl)ethynyl]benzonitrile
CID 70691262

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile (CID 81060103) is 4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile is CCN(c1cccc(F)c1)c1cc(C)nc(C)c1C#N.
What is the InChIKey of 4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is SYCRHJXIYMNSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-4-20(14-7-5-6-13(17)9-14)16-8-11(2)19-12(3)15(16)10-18/h5-9H,4H2,1-3H3.
What are the key properties of 4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 269.32 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).