2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

C23H18F5N3O2 — CID 166877140

IUPAC2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESC=C(F)c1cc(-c2ccc(CC(=O)Nc3cnc(OC)c(C(F)(F)F)c3)c(F)c2)cnc1C
InChIInChI=1S/C23H18F5N3O2/c1-12(24)18-6-16(10-29-13(18)2)14-4-5-15(20(25)7-14)8-21(32)31-17-9-19(23(26,27)28)22(33-3)30-11-17/h4-7,9-11H,1,8H2,2-3H3,(H,31,32)
InChIKeyGOUBUAYFLHONKS-UHFFFAOYSA-N
MW463.41 g/mol
LogP5.74
Rot. Bonds6

About 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 166877140) has the molecular formula C23H18F5N3O2 and a molecular weight of 463.41 g/mol. Its IUPAC name is 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID166877140
Molecular FormulaC23H18F5N3O2
Molecular Weight463.41 g/mol
Exact Mass463.13
IUPAC Name2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESC=C(F)c1cc(-c2ccc(CC(=O)Nc3cnc(OC)c(C(F)(F)F)c3)c(F)c2)cnc1C
InChIInChI=1S/C23H18F5N3O2/c1-12(24)18-6-16(10-29-13(18)2)14-4-5-15(20(25)7-14)8-21(32)31-17-9-19(23(26,27)28)22(33-3)30-11-17/h4-7,9-11H,1,8H2,2-3H3,(H,31,32)
InChIKeyGOUBUAYFLHONKS-UHFFFAOYSA-N
XLogP5.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-fluoro-4-[2-[6-(2-hydroxyethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 166877167
2-[2-fluoro-4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 147259300
2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423498
2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 147498797
2-[4-[2-(3,3-dimethylbut-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423410
2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2,5-difluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 148657349
2,2,2-trifluoro-N-[3-[4-[2-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]phenyl]-7H-pyrrolo[3,4-b]pyridin-5-yl]acetamide
CID 160603332
2-[3-fluoro-4-[2-(1H-pyrazol-4-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162220958
2-[3-fluoro-4-[2-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423504
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158346684
2-[4-(6-butoxy-4-ethoxy-3-pyridinyl)-2-fluorophenyl]-N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 90435613
2-[4-(6-ethoxy-4-oxocyclohexa-1,5-dien-1-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 147049868

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 166877140) is 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is C=C(F)c1cc(-c2ccc(CC(=O)Nc3cnc(OC)c(C(F)(F)F)c3)c(F)c2)cnc1C.
What is the InChIKey of 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is GOUBUAYFLHONKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N3O2/c1-12(24)18-6-16(10-29-13(18)2)14-4-5-15(20(25)7-14)8-21(32)31-17-9-19(23(26,27)28)22(33-3)30-11-17/h4-7,9-11H,1,8H2,2-3H3,(H,31,32).
What are the key properties of 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 463.41 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 166877140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).