N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide

C34H31F3N4O3 — CID 154647159

About N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide

N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide (PubChem CID 154647159) has the molecular formula C34H31F3N4O3 and a molecular weight of 600.64 g/mol. Its IUPAC name is N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide
• PubChem CID: 154647159
• Molecular Formula: C34H31F3N4O3
• Molecular Weight: 600.64 g/mol
• Exact Mass: 600.23
• IUPAC Name: N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide
• SMILES: Cc1nc2cccnc2c(C(=O)N(Cc2ccc(-c3cccc(C(C)(C)C(N)=O)c3)cc2)Cc2ccc(C(F)(F)F)o2)c1C
• InChI: InChI=1S/C34H31F3N4O3/c1-20-21(2)40-27-9-6-16-39-30(27)29(20)31(42)41(19-26-14-15-28(44-26)34(35,36)37)18-22-10-12-23(13-11-22)24-7-5-8-25(17-24)33(3,4)32(38)43/h5-17H,18-19H2,1-4H3,(H2,38,43)
• InChIKey: BMXOSXNMKURFCK-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 102.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.64
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

The IUPAC name of N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide (CID 154647159) is N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide.

What is the SMILES notation for N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

The canonical SMILES for N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide is Cc1nc2cccnc2c(C(=O)N(Cc2ccc(-c3cccc(C(C)(C)C(N)=O)c3)cc2)Cc2ccc(C(F)(F)F)o2)c1C.

What is the InChIKey of N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

The InChIKey is BMXOSXNMKURFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F3N4O3/c1-20-21(2)40-27-9-6-16-39-30(27)29(20)31(42)41(19-26-14-15-28(44-26)34(35,36)37)18-22-10-12-23(13-11-22)24-7-5-8-25(17-24)33(3,4)32(38)43/h5-17H,18-19H2,1-4H3,(H2,38,43).

What are the key properties of N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide has a molecular weight of 600.64 g/mol, XLogP of 7.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 154647159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).