6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide

C20H19F4N3O4 — CID 54702872

IUPAC6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
SMILESCN(C)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)c(C(F)(F)F)c1)CC2
InChIInChI=1S/C20H19F4N3O4/c1-25(2)18(30)15-11-6-7-27(17(29)14(11)16(28)19(31)26(15)3)9-10-4-5-13(21)12(8-10)20(22,23)24/h4-5,8,28H,6-7,9H2,1-3H3
InChIKeyYXNQIQNVFUWEDL-UHFFFAOYSA-N
MW441.38 g/mol
LogP2.15
Rot. Bonds3

About 6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide

6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (PubChem CID 54702872) has the molecular formula C20H19F4N3O4 and a molecular weight of 441.38 g/mol. Its IUPAC name is 6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
PubChem CID54702872
Molecular FormulaC20H19F4N3O4
Molecular Weight441.38 g/mol
Exact Mass441.13
IUPAC Name6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
SMILESCN(C)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)c(C(F)(F)F)c1)CC2
InChIInChI=1S/C20H19F4N3O4/c1-25(2)18(30)15-11-6-7-27(17(29)14(11)16(28)19(31)26(15)3)9-10-4-5-13(21)12(8-10)20(22,23)24/h4-5,8,28H,6-7,9H2,1-3H3
InChIKeyYXNQIQNVFUWEDL-UHFFFAOYSA-N
XLogP2.15
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The IUPAC name of 6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (CID 54702872) is 6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is CN(C)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)c(C(F)(F)F)c1)CC2.
What is the InChIKey of 6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The InChIKey is YXNQIQNVFUWEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O4/c1-25(2)18(30)15-11-6-7-27(17(29)14(11)16(28)19(31)26(15)3)9-10-4-5-13(21)12(8-10)20(22,23)24/h4-5,8,28H,6-7,9H2,1-3H3.
What are the key properties of 6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide has a molecular weight of 441.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 54702872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).