N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

C26H21F4N3O — CID 71451309

IUPACN-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C26H21F4N3O/c27-23-15-19(18-4-1-6-21(14-18)26(28,29)30)9-10-20(23)16-32-24(34)8-2-7-22-12-11-17-5-3-13-31-25(17)33-22/h1,3-6,9-15H,2,7-8,16H2,(H,32,34)
InChIKeyZFJGKUDKKAAZEM-UHFFFAOYSA-N
MW467.47 g/mol
LogP6.09
Rot. Bonds7

About N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (PubChem CID 71451309) has the molecular formula C26H21F4N3O and a molecular weight of 467.47 g/mol. Its IUPAC name is N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
PubChem CID71451309
Molecular FormulaC26H21F4N3O
Molecular Weight467.47 g/mol
Exact Mass467.16
IUPAC NameN-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C26H21F4N3O/c27-23-15-19(18-4-1-6-21(14-18)26(28,29)30)9-10-20(23)16-32-24(34)8-2-7-22-12-11-17-5-3-13-31-25(17)33-22/h1,3-6,9-15H,2,7-8,16H2,(H,32,34)
InChIKeyZFJGKUDKKAAZEM-UHFFFAOYSA-N
XLogP6.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.47
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

hGPR91 antagonist 1
CID 53358775
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
CID 46927726
N-[7-[methyl(propan-2-yl)amino]-1,8-naphthyridin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143490
N-(2,6-dimethylphenyl)-4-[(4-phenylpyrido[2,3-d]pyrimidin-2-yl)amino]benzamide
CID 44565644
N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
CID 53358900
1-Ethyl-3-(8-methyl-5-pyrimidin-4-ylisoquinolin-3-yl)urea
CID 67449631
2,2-difluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
CID 71449508
N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
CID 71451308
N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
CID 71451310
4-(1,8-naphthyridin-2-yl)-N-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
CID 71453121
N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide
CID 71453124
N-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
CID 71453125

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (CID 71451309) is N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(C(F)(F)F)c2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The InChIKey is ZFJGKUDKKAAZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F4N3O/c27-23-15-19(18-4-1-6-21(14-18)26(28,29)30)9-10-20(23)16-32-24(34)8-2-7-22-12-11-17-5-3-13-31-25(17)33-22/h1,3-6,9-15H,2,7-8,16H2,(H,32,34).
What are the key properties of N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide has a molecular weight of 467.47 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 71451309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).