N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C53H46F6N8O5 — CID 158120045

IUPACN-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCN1C(=O)C2CC3(CCOCC3)C2c2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)cnc21.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc2c(ccc(=O)n2C)c1
InChIInChI=1S/C30H29F3N4O3.C23H17F3N4O2/c1-3-37-26-22(25-23(28(37)39)15-29(25)7-10-40-11-8-29)12-19(16-35-26)21-14-20(5-4-17(21)2)36-27(38)18-6-9-34-24(13-18)30(31,32)33;1-13-3-5-17(29-22(32)15-7-8-27-19(10-15)23(24,25)26)11-18(13)16-9-14-4-6-20(31)30(2)21(14)28-12-16/h4-6,9,12-14,16,23,25H,3,7-8,10-11,15H2,1-2H3,(H,36,38);3-12H,1-2H3,(H,29,32)
InChIKeyFRMNITQMXUOYQK-UHFFFAOYSA-N
MW988.99 g/mol
LogP10.56
Rot. Bonds7

About N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158120045) has the molecular formula C53H46F6N8O5 and a molecular weight of 988.99 g/mol. Its IUPAC name is N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID158120045
Molecular FormulaC53H46F6N8O5
Molecular Weight988.99 g/mol
Exact Mass988.35
IUPAC NameN-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCN1C(=O)C2CC3(CCOCC3)C2c2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)cnc21.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc2c(ccc(=O)n2C)c1
InChIInChI=1S/C30H29F3N4O3.C23H17F3N4O2/c1-3-37-26-22(25-23(28(37)39)15-29(25)7-10-40-11-8-29)12-19(16-35-26)21-14-20(5-4-17(21)2)36-27(38)18-6-9-34-24(13-18)30(31,32)33;1-13-3-5-17(29-22(32)15-7-8-27-19(10-15)23(24,25)26)11-18(13)16-9-14-4-6-20(31)30(2)21(14)28-12-16/h4-6,9,12-14,16,23,25H,3,7-8,10-11,15H2,1-2H3,(H,36,38);3-12H,1-2H3,(H,29,32)
InChIKeyFRMNITQMXUOYQK-UHFFFAOYSA-N
XLogP10.56
TPSA161.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.99
LogP ≤ 510.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[3-[(10R,11R,15R)-8-ethyl-9-oxo-13-oxa-6,8-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2(7),3,5-trien-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129272030
N-[3-(8-ethyl-9-oxo-13-oxa-6,8-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2(7),3,5-trien-4-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137361907
N-[3-(10-ethyl-9-oxo-5,8-dioxa-10,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-trien-14-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129271679
N-[5-(7-ethyl-6-oxo-1,2,4,5,5a,11b-hexahydrooxepino[4,5-c][1,8]naphthyridin-10-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 139393813
N-[5-[7-(2-hydroxyethyl)-6-oxo-1,2,4,5,5a,11b-hexahydrooxepino[4,5-c][1,8]naphthyridin-10-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 139393861
N-[3-(6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 129248836
2-(1,1-difluoroethyl)-N-[3-(10-ethyl-9-oxo-5-oxa-2,10,12-triazabicyclo[9.4.0]pentadeca-1(11),12,14-trien-14-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 129271616
N-[3-[(5aS,11bS)-7-(2-hydroxyethyl)-6-oxo-1,2,4,5,5a,11b-hexahydrooxepino[4,5-c][1,8]naphthyridin-10-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129271941
N-[3-[(2R,7S)-10-ethyl-9-oxo-5,8-dioxa-10,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-trien-14-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137361835
2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide
CID 134609630
2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide
CID 90461349
N-[3-[2-(2-hydroxyethoxy)-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167353170

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158120045) is N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CCN1C(=O)C2CC3(CCOCC3)C2c2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)cnc21.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc2c(ccc(=O)n2C)c1.
What is the InChIKey of N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is FRMNITQMXUOYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N4O3.C23H17F3N4O2/c1-3-37-26-22(25-23(28(37)39)15-29(25)7-10-40-11-8-29)12-19(16-35-26)21-14-20(5-4-17(21)2)36-27(38)18-6-9-34-24(13-18)30(31,32)33;1-13-3-5-17(29-22(32)15-7-8-27-19(10-15)23(24,25)26)11-18(13)16-9-14-4-6-20(31)30(2)21(14)28-12-16/h4-6,9,12-14,16,23,25H,3,7-8,10-11,15H2,1-2H3,(H,36,38);3-12H,1-2H3,(H,29,32).
What are the key properties of N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 988.99 g/mol, XLogP of 10.56, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-3-oxospiro[2a,8b-dihydro-2H-cyclobuta[c][1,8]naphthyridine-1,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(8-methyl-7-oxo-1,8-naphthyridin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158120045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).