N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide

C12H14F3N3O — CID 58926716

IUPACN-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide
SMILESCC(=O)NC1CC(C)Nc2ccc(C(F)(F)F)nc21
InChIInChI=1S/C12H14F3N3O/c1-6-5-9(17-7(2)19)11-8(16-6)3-4-10(18-11)12(13,14)15/h3-4,6,9,16H,5H2,1-2H3,(H,17,19)
InChIKeyBJTFTOZGBVHGCV-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.48
Rot. Bonds1

About N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide

N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide (PubChem CID 58926716) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide
PubChem CID58926716
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC NameN-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide
SMILESCC(=O)NC1CC(C)Nc2ccc(C(F)(F)F)nc21
InChIInChI=1S/C12H14F3N3O/c1-6-5-9(17-7(2)19)11-8(16-6)3-4-10(18-11)12(13,14)15/h3-4,6,9,16H,5H2,1-2H3,(H,17,19)
InChIKeyBJTFTOZGBVHGCV-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide (CID 58926716) is N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide.
What is the SMILES notation for N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide is CC(=O)NC1CC(C)Nc2ccc(C(F)(F)F)nc21.
What is the InChIKey of N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide?
The InChIKey is BJTFTOZGBVHGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-6-5-9(17-7(2)19)11-8(16-6)3-4-10(18-11)12(13,14)15/h3-4,6,9,16H,5H2,1-2H3,(H,17,19).
What are the key properties of N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide?
N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide has a molecular weight of 273.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 58926716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).