4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine

C36H26F10N6O — CID 158022492

IUPAC4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine
SMILESFC(F)(F)c1cccc(-c2ccc3c(n2)NCCC3(F)F)c1.O=C(Nc1ccccn1)N1CCC(F)(F)c2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C21H15F5N4O.C15H11F5N2/c22-20(23)9-11-30(19(31)29-17-6-1-2-10-27-17)18-15(20)7-8-16(28-18)13-4-3-5-14(12-13)21(24,25)26;16-14(17)6-7-21-13-11(14)4-5-12(22-13)9-2-1-3-10(8-9)15(18,19)20/h1-8,10,12H,9,11H2,(H,27,29,31);1-5,8H,6-7H2,(H,21,22)
InChIKeyFGFKEVIFJFGDRF-UHFFFAOYSA-N
MW748.63 g/mol
LogP10.37
Rot. Bonds3

About 4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine

4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine (PubChem CID 158022492) has the molecular formula C36H26F10N6O and a molecular weight of 748.63 g/mol. Its IUPAC name is 4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine.

Molecular Properties

Compound Name4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine
PubChem CID158022492
Molecular FormulaC36H26F10N6O
Molecular Weight748.63 g/mol
Exact Mass748.20
IUPAC Name4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine
SMILESFC(F)(F)c1cccc(-c2ccc3c(n2)NCCC3(F)F)c1.O=C(Nc1ccccn1)N1CCC(F)(F)c2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C21H15F5N4O.C15H11F5N2/c22-20(23)9-11-30(19(31)29-17-6-1-2-10-27-17)18-15(20)7-8-16(28-18)13-4-3-5-14(12-13)21(24,25)26;16-14(17)6-7-21-13-11(14)4-5-12(22-13)9-2-1-3-10(8-9)15(18,19)20/h1-8,10,12H,9,11H2,(H,27,29,31);1-5,8H,6-7H2,(H,21,22)
InChIKeyFGFKEVIFJFGDRF-UHFFFAOYSA-N
XLogP10.37
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.63
LogP ≤ 510.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
1-Ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
CID 67448852
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-quinolin-5-ylurea
CID 71237040
1-Isoquinolin-8-yl-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 71237098
1-Isoquinolin-5-yl-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 71237326
1,6-Naphthyridine 28
CID 5330138
N1-(7-(3-(trifluoromethyl)phenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10150032
Cyclohexyl-{4-[1-(4-methylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 25020308
4-(3-Pyridin-4-yl-[2,6]naphthyridin-1-yl)piperazin-2-one
CID 25113050

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine?
The IUPAC name of 4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine (CID 158022492) is 4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine.
What is the SMILES notation for 4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine?
The canonical SMILES for 4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine is FC(F)(F)c1cccc(-c2ccc3c(n2)NCCC3(F)F)c1.O=C(Nc1ccccn1)N1CCC(F)(F)c2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of 4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine?
The InChIKey is FGFKEVIFJFGDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N4O.C15H11F5N2/c22-20(23)9-11-30(19(31)29-17-6-1-2-10-27-17)18-15(20)7-8-16(28-18)13-4-3-5-14(12-13)21(24,25)26;16-14(17)6-7-21-13-11(14)4-5-12(22-13)9-2-1-3-10(8-9)15(18,19)20/h1-8,10,12H,9,11H2,(H,27,29,31);1-5,8H,6-7H2,(H,21,22).
What are the key properties of 4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine?
4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine has a molecular weight of 748.63 g/mol, XLogP of 10.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine is sourced from PubChem (CID 158022492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).