3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane

C57H49F9N10O4 — CID 142225713

IUPAC3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane
SMILESCC.CNC(=O)CCNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=C(CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H21F6N5O2.C25H22F3N5O2.C2H6/c31-29(32,33)18-11-13-20(14-12-18)39-26(43)17-37-24-15-22(30(34,35)36)27-23(42)16-25(38-19-7-3-1-4-8-19)41(28(27)40-24)21-9-5-2-6-10-21;1-29-22(35)12-13-30-20-14-18(25(26,27)28)23-19(34)15-21(31-16-8-4-2-5-9-16)33(24(23)32-20)17-10-6-3-7-11-17;1-2/h1-16,38H,17H2,(H,37,40)(H,39,43);2-11,14-15,31H,12-13H2,1H3,(H,29,35)(H,30,32);1-2H3
InChIKeyPSYLHVIKAJMZFW-UHFFFAOYSA-N
MW1109.07 g/mol
LogP12.94
Rot. Bonds14

About 3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane

3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane (PubChem CID 142225713) has the molecular formula C57H49F9N10O4 and a molecular weight of 1109.07 g/mol. Its IUPAC name is 3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane.

Molecular Properties

Compound Name3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane
PubChem CID142225713
Molecular FormulaC57H49F9N10O4
Molecular Weight1109.07 g/mol
Exact Mass1108.38
IUPAC Name3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane
SMILESCC.CNC(=O)CCNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=C(CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H21F6N5O2.C25H22F3N5O2.C2H6/c31-29(32,33)18-11-13-20(14-12-18)39-26(43)17-37-24-15-22(30(34,35)36)27-23(42)16-25(38-19-7-3-1-4-8-19)41(28(27)40-24)21-9-5-2-6-10-21;1-29-22(35)12-13-30-20-14-18(25(26,27)28)23-19(34)15-21(31-16-8-4-2-5-9-16)33(24(23)32-20)17-10-6-3-7-11-17;1-2/h1-16,38H,17H2,(H,37,40)(H,39,43);2-11,14-15,31H,12-13H2,1H3,(H,29,35)(H,30,32);1-2H3
InChIKeyPSYLHVIKAJMZFW-UHFFFAOYSA-N
XLogP12.94
TPSA176.10 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001109.07
LogP ≤ 512.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane with MolForge

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Related Compounds

N-[3,5-Bis(trifluoromethyl)benzyl]-2-methyl-6-(4-methylpiperazin-1-yl)-4-phenylnicotinamide
CID 54585202
7-amino-1-benzyl-N-cyclohexyl-4-oxo-1,4-dihydro-1,8-naphthyridine-2-carboxamide
CID 44444737
2-[[1,3-dimethyl-7-(4-methylpiperazin-1-yl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 164519537
2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 164519539
2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 164519552
2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxopyrido[2,3-d]pyrimidin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 49797847
2-[[1,3-dimethyl-7-(4-methylpiperazin-1-yl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 168294248
2-(5,7-dimethyl-2,4-dioxo-1-phenyl-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 17250436
N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenyl-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl)acetamide
CID 17251341
2-Anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10116626
2-Anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10161980
2-Anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10164198

Frequently Asked Questions

What is the IUPAC name of 3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane?
The IUPAC name of 3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane (CID 142225713) is 3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane.
What is the SMILES notation for 3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane?
The canonical SMILES for 3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane is CC.CNC(=O)CCNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=C(CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane?
The InChIKey is PSYLHVIKAJMZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F6N5O2.C25H22F3N5O2.C2H6/c31-29(32,33)18-11-13-20(14-12-18)39-26(43)17-37-24-15-22(30(34,35)36)27-23(42)16-25(38-19-7-3-1-4-8-19)41(28(27)40-24)21-9-5-2-6-10-21;1-29-22(35)12-13-30-20-14-18(25(26,27)28)23-19(34)15-21(31-16-8-4-2-5-9-16)33(24(23)32-20)17-10-6-3-7-11-17;1-2/h1-16,38H,17H2,(H,37,40)(H,39,43);2-11,14-15,31H,12-13H2,1H3,(H,29,35)(H,30,32);1-2H3.
What are the key properties of 3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane?
3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane has a molecular weight of 1109.07 g/mol, XLogP of 12.94, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylpropanamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide;ethane is sourced from PubChem (CID 142225713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).