methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

C24H20F3N3O3 — CID 71736343

IUPACmethyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c1CCN(c1cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c1)C2
InChIInChI=1S/C24H20F3N3O3/c1-33-23(32)21-13-28-12-16-14-30(9-8-20(16)21)19-7-2-4-15(10-19)22(31)29-18-6-3-5-17(11-18)24(25,26)27/h2-7,10-13H,8-9,14H2,1H3,(H,29,31)
InChIKeyIZLDRDIAKUPXRS-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.70
Rot. Bonds4

About methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (PubChem CID 71736343) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
PubChem CID71736343
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Namemethyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c1CCN(c1cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c1)C2
InChIInChI=1S/C24H20F3N3O3/c1-33-23(32)21-13-28-12-16-14-30(9-8-20(16)21)19-7-2-4-15(10-19)22(31)29-18-6-3-5-17(11-18)24(25,26)27/h2-7,10-13H,8-9,14H2,1H3,(H,29,31)
InChIKeyIZLDRDIAKUPXRS-UHFFFAOYSA-N
XLogP4.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (CID 71736343) is methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is COC(=O)c1cncc2c1CCN(c1cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c1)C2.
What is the InChIKey of methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The InChIKey is IZLDRDIAKUPXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c1-33-23(32)21-13-28-12-16-14-30(9-8-20(16)21)19-7-2-4-15(10-19)22(31)29-18-6-3-5-17(11-18)24(25,26)27/h2-7,10-13H,8-9,14H2,1H3,(H,29,31).
What are the key properties of methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate has a molecular weight of 455.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 71736343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).