(2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one

C15H20F3N3O — CID 142826664

About (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one

(2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one (PubChem CID 142826664) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one.

Molecular Properties

• Compound Name: (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one
• PubChem CID: 142826664
• Molecular Formula: C15H20F3N3O
• Molecular Weight: 315.34 g/mol
• Exact Mass: 315.16
• IUPAC Name: (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one
• SMILES: C[C@H](CCCN)C(=O)N1CCc2ncc(C(F)(F)F)cc2C1
• InChI: InChI=1S/C15H20F3N3O/c1-10(3-2-5-19)14(22)21-6-4-13-11(9-21)7-12(8-20-13)15(16,17)18/h7-8,10H,2-6,9,19H2,1H3/t10-/m1/s1
• InChIKey: COVHLTKBKXZQPP-SNVBAGLBSA-N
• XLogP: 2.36
• TPSA: 59.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.34
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one?

The IUPAC name of (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one (CID 142826664) is (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one.

What is the SMILES notation for (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one?

The canonical SMILES for (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one is C[C@H](CCCN)C(=O)N1CCc2ncc(C(F)(F)F)cc2C1.

What is the InChIKey of (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one?

The InChIKey is COVHLTKBKXZQPP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-10(3-2-5-19)14(22)21-6-4-13-11(9-21)7-12(8-20-13)15(16,17)18/h7-8,10H,2-6,9,19H2,1H3/t10-/m1/s1.

What are the key properties of (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one?

(2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one has a molecular weight of 315.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one is sourced from PubChem (CID 142826664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).