2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C18H11F6N3O — CID 4560416

IUPAC2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/C18H11F6N3O/c19-17(20,21)12-5-1-3-10(7-12)9-26-16(28)13-8-11-4-2-6-25-15(11)27-14(13)18(22,23)24/h1-8H,9H2,(H,26,28)
InChIKeyRCYZIBWDPREYPM-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.60
Rot. Bonds3

About 2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 4560416) has the molecular formula C18H11F6N3O and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID4560416
Molecular FormulaC18H11F6N3O
Molecular Weight399.29 g/mol
Exact Mass399.08
IUPAC Name2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/C18H11F6N3O/c19-17(20,21)12-5-1-3-10(7-12)9-26-16(28)13-8-11-4-2-6-25-15(11)27-14(13)18(22,23)24/h1-8H,9H2,(H,26,28)
InChIKeyRCYZIBWDPREYPM-UHFFFAOYSA-N
XLogP4.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 4560416) is 2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cc2cccnc2nc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is RCYZIBWDPREYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O/c19-17(20,21)12-5-1-3-10(7-12)9-26-16(28)13-8-11-4-2-6-25-15(11)27-14(13)18(22,23)24/h1-8H,9H2,(H,26,28).
What are the key properties of 2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 399.29 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 4560416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).