N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide

C22H17F4N3O — CID 68900549

IUPACN-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCc2cccnc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F4N3O/c23-17-4-1-5-18(13-17)28-21(30)29-12-10-14-3-2-11-27-19(14)20(29)15-6-8-16(9-7-15)22(24,25)26/h1-9,11,13,20H,10,12H2,(H,28,30)
InChIKeyOPOJAGUUWAOTDL-UHFFFAOYSA-N
MW415.39 g/mol
LogP5.42
Rot. Bonds2

About N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide

N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide (PubChem CID 68900549) has the molecular formula C22H17F4N3O and a molecular weight of 415.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
PubChem CID68900549
Molecular FormulaC22H17F4N3O
Molecular Weight415.39 g/mol
Exact Mass415.13
IUPAC NameN-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCc2cccnc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F4N3O/c23-17-4-1-5-18(13-17)28-21(30)29-12-10-14-3-2-11-27-19(14)20(29)15-6-8-16(9-7-15)22(24,25)26/h1-9,11,13,20H,10,12H2,(H,28,30)
InChIKeyOPOJAGUUWAOTDL-UHFFFAOYSA-N
XLogP5.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.39
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 59536396
N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
CID 68895135
(1R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92767632
N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
CID 76629470
(1R)-1-(4-fluorophenyl)-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92767509
(4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 6976196
N-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325924
4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 10550770
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] (8S)-8-(4-fluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 155397543
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
(1R)-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 90655359
N-(3-fluorophenyl)-5-[(2R)-1-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070591

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide (CID 68900549) is N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide is O=C(Nc1cccc(F)c1)N1CCc2cccnc2C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The InChIKey is OPOJAGUUWAOTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O/c23-17-4-1-5-18(13-17)28-21(30)29-12-10-14-3-2-11-27-19(14)20(29)15-6-8-16(9-7-15)22(24,25)26/h1-9,11,13,20H,10,12H2,(H,28,30).
What are the key properties of N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide has a molecular weight of 415.39 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide is sourced from PubChem (CID 68900549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).