2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C21H16F3N3 — CID 3400568

IUPAC2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3N3/c1-2-16-18(14-9-6-10-15(11-14)21(22,23)24)17(12-25)20(26)27-19(16)13-7-4-3-5-8-13/h3-11H,2H2,1H3,(H2,26,27)
InChIKeyZSTLVALPSKQJID-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.45
Rot. Bonds3

About 2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 3400568) has the molecular formula C21H16F3N3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID3400568
Molecular FormulaC21H16F3N3
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3N3/c1-2-16-18(14-9-6-10-15(11-14)21(22,23)24)17(12-25)20(26)27-19(16)13-7-4-3-5-8-13/h3-11H,2H2,1H3,(H2,26,27)
InChIKeyZSTLVALPSKQJID-UHFFFAOYSA-N
XLogP5.45
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 856305
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 5208158
2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile
CID 5208157
5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309905
2-amino-6-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3369928
6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10062289
2-amino-6-(4-fluorophenyl)-5-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 5159717
2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 71766459
2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile
CID 141419926
3-amino-2-[3-(trifluoromethyl)phenyl]benzonitrile
CID 134630743

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 3400568) is 2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is ZSTLVALPSKQJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3/c1-2-16-18(14-9-6-10-15(11-14)21(22,23)24)17(12-25)20(26)27-19(16)13-7-4-3-5-8-13/h3-11H,2H2,1H3,(H2,26,27).
What are the key properties of 2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 367.37 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 3400568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).