5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C25H22F3N3O3 — CID 134809449

IUPAC5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCCc2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C25H22F3N3O3/c1-34-22-10-3-2-6-16(22)13-23(32)31-11-5-9-20-21(31)12-17(15-29-20)24(33)30-19-8-4-7-18(14-19)25(26,27)28/h2-4,6-8,10,12,14-15H,5,9,11,13H2,1H3,(H,30,33)
InChIKeyXXECTXNDHCVCNY-UHFFFAOYSA-N
MW469.46 g/mol
LogP4.88
Rot. Bonds5

About 5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134809449) has the molecular formula C25H22F3N3O3 and a molecular weight of 469.46 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134809449
Molecular FormulaC25H22F3N3O3
Molecular Weight469.46 g/mol
Exact Mass469.16
IUPAC Name5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCCc2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C25H22F3N3O3/c1-34-22-10-3-2-6-16(22)13-23(32)31-11-5-9-20-21(31)12-17(15-29-20)24(33)30-19-8-4-7-18(14-19)25(26,27)28/h2-4,6-8,10,12,14-15H,5,9,11,13H2,1H3,(H,30,33)
InChIKeyXXECTXNDHCVCNY-UHFFFAOYSA-N
XLogP4.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134809449) is 5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is COc1ccccc1CC(=O)N1CCCc2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is XXECTXNDHCVCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3/c1-34-22-10-3-2-6-16(22)13-23(32)31-11-5-9-20-21(31)12-17(15-29-20)24(33)30-19-8-4-7-18(14-19)25(26,27)28/h2-4,6-8,10,12,14-15H,5,9,11,13H2,1H3,(H,30,33).
What are the key properties of 5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 469.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134809449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).