1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide

C23H16F3N3O3 — CID 26844169

IUPAC1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H16F3N3O3/c24-23(25,26)32-18-10-8-17(9-11-18)28-21(30)19-13-16-7-4-12-27-20(16)29(22(19)31)14-15-5-2-1-3-6-15/h1-13H,14H2,(H,28,30)
InChIKeyQUPRVIUEUKDNHP-UHFFFAOYSA-N
MW439.39 g/mol
LogP4.60
Rot. Bonds5

About 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide

1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 26844169) has the molecular formula C23H16F3N3O3 and a molecular weight of 439.39 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide
PubChem CID26844169
Molecular FormulaC23H16F3N3O3
Molecular Weight439.39 g/mol
Exact Mass439.11
IUPAC Name1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H16F3N3O3/c24-23(25,26)32-18-10-8-17(9-11-18)28-21(30)19-13-16-7-4-12-27-20(16)29(22(19)31)14-15-5-2-1-3-6-15/h1-13H,14H2,(H,28,30)
InChIKeyQUPRVIUEUKDNHP-UHFFFAOYSA-N
XLogP4.60
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide (CID 26844169) is 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is QUPRVIUEUKDNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O3/c24-23(25,26)32-18-10-8-17(9-11-18)28-21(30)19-13-16-7-4-12-27-20(16)29(22(19)31)14-15-5-2-1-3-6-15/h1-13H,14H2,(H,28,30).
What are the key properties of 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide?
1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 439.39 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 26844169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).