N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide

C18H10F3N3O2S — CID 18524661

IUPACN-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(-c3cccs3)cc(C(F)(F)F)nc2n1)c1ccco1
InChIInChI=1S/C18H10F3N3O2S/c19-18(20,21)14-9-11(13-4-2-8-27-13)10-5-6-15(23-16(10)22-14)24-17(25)12-3-1-7-26-12/h1-9H,(H,22,23,24,25)
InChIKeyKTGFQVGAFDJCQL-UHFFFAOYSA-N
MW389.36 g/mol
LogP5.22
Rot. Bonds3

About N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide

N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide (PubChem CID 18524661) has the molecular formula C18H10F3N3O2S and a molecular weight of 389.36 g/mol. Its IUPAC name is N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide
PubChem CID18524661
Molecular FormulaC18H10F3N3O2S
Molecular Weight389.36 g/mol
Exact Mass389.04
IUPAC NameN-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(-c3cccs3)cc(C(F)(F)F)nc2n1)c1ccco1
InChIInChI=1S/C18H10F3N3O2S/c19-18(20,21)14-9-11(13-4-2-8-27-13)10-5-6-15(23-16(10)22-14)24-17(25)12-3-1-7-26-12/h1-9H,(H,22,23,24,25)
InChIKeyKTGFQVGAFDJCQL-UHFFFAOYSA-N
XLogP5.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.36
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide (CID 18524661) is N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide is O=C(Nc1ccc2c(-c3cccs3)cc(C(F)(F)F)nc2n1)c1ccco1.
What is the InChIKey of N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide?
The InChIKey is KTGFQVGAFDJCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O2S/c19-18(20,21)14-9-11(13-4-2-8-27-13)10-5-6-15(23-16(10)22-14)24-17(25)12-3-1-7-26-12/h1-9H,(H,22,23,24,25).
What are the key properties of N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide?
N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-thiophen-2-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 18524661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).