3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide

C11H10F3N3O3 — CID 157275207

IUPAC3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide
SMILESO=C1NCCc2c1cc(=O)[nH]c2C(=O)NCC(F)(F)F
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)4-16-10(20)8-5-1-2-15-9(19)6(5)3-7(18)17-8/h3H,1-2,4H2,(H,15,19)(H,16,20)(H,17,18)
InChIKeyAZAAHNAXTLLHJJ-UHFFFAOYSA-N
MW289.21 g/mol
LogP-0.05
Rot. Bonds2

About 3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide

3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide (PubChem CID 157275207) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide
PubChem CID157275207
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide
SMILESO=C1NCCc2c1cc(=O)[nH]c2C(=O)NCC(F)(F)F
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)4-16-10(20)8-5-1-2-15-9(19)6(5)3-7(18)17-8/h3H,1-2,4H2,(H,15,19)(H,16,20)(H,17,18)
InChIKeyAZAAHNAXTLLHJJ-UHFFFAOYSA-N
XLogP-0.05
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide?
The IUPAC name of 3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide (CID 157275207) is 3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide.
What is the SMILES notation for 3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for 3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide is O=C1NCCc2c1cc(=O)[nH]c2C(=O)NCC(F)(F)F.
What is the InChIKey of 3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide?
The InChIKey is AZAAHNAXTLLHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c12-11(13,14)4-16-10(20)8-5-1-2-15-9(19)6(5)3-7(18)17-8/h3H,1-2,4H2,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide?
3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide has a molecular weight of 289.21 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 157275207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).