2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide

C12H9F3N4O — CID 71449775

IUPAC2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
SMILESC=Cc1cc2cc(C(N)=O)c(N)nc2nc1C(F)(F)F
InChIInChI=1S/C12H9F3N4O/c1-2-5-3-6-4-7(10(17)20)9(16)19-11(6)18-8(5)12(13,14)15/h2-4H,1H2,(H2,17,20)(H2,16,18,19)
InChIKeyKCIUTALUVWIYQB-UHFFFAOYSA-N
MW282.23 g/mol
LogP1.97
Rot. Bonds2

About 2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide

2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 71449775) has the molecular formula C12H9F3N4O and a molecular weight of 282.23 g/mol. Its IUPAC name is 2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
PubChem CID71449775
Molecular FormulaC12H9F3N4O
Molecular Weight282.23 g/mol
Exact Mass282.07
IUPAC Name2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
SMILESC=Cc1cc2cc(C(N)=O)c(N)nc2nc1C(F)(F)F
InChIInChI=1S/C12H9F3N4O/c1-2-5-3-6-4-7(10(17)20)9(16)19-11(6)18-8(5)12(13,14)15/h2-4H,1H2,(H2,17,20)(H2,16,18,19)
InChIKeyKCIUTALUVWIYQB-UHFFFAOYSA-N
XLogP1.97
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide (CID 71449775) is 2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide is C=Cc1cc2cc(C(N)=O)c(N)nc2nc1C(F)(F)F.
What is the InChIKey of 2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is KCIUTALUVWIYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O/c1-2-5-3-6-4-7(10(17)20)9(16)19-11(6)18-8(5)12(13,14)15/h2-4H,1H2,(H2,17,20)(H2,16,18,19).
What are the key properties of 2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 282.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 71449775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).