8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

C17H12F3N3O2 — CID 75203005

IUPAC8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(-c3ccc(OCC(F)(F)F)cc3)c2n1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)9-25-12-4-1-10(2-5-12)13-8-22-7-11-3-6-14(16(21)24)23-15(11)13/h1-8H,9H2,(H2,21,24)
InChIKeyLNSHZXHPVVZQIW-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.34
Rot. Bonds4

About 8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 75203005) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID75203005
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(-c3ccc(OCC(F)(F)F)cc3)c2n1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)9-25-12-4-1-10(2-5-12)13-8-22-7-11-3-6-14(16(21)24)23-15(11)13/h1-8H,9H2,(H2,21,24)
InChIKeyLNSHZXHPVVZQIW-UHFFFAOYSA-N
XLogP3.34
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (CID 75203005) is 8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is NC(=O)c1ccc2cncc(-c3ccc(OCC(F)(F)F)cc3)c2n1.
What is the InChIKey of 8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is LNSHZXHPVVZQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)9-25-12-4-1-10(2-5-12)13-8-22-7-11-3-6-14(16(21)24)23-15(11)13/h1-8H,9H2,(H2,21,24).
What are the key properties of 8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 75203005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).