2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide

C23H26F3N5O2S — CID 154249726

IUPAC2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1nccc2nc(NCCN3CCC(c4cc(C(F)(F)F)ccc4S(N)(=O)=O)CC3)ccc12
InChIInChI=1S/C23H26F3N5O2S/c1-15-18-3-5-22(30-20(18)6-9-28-15)29-10-13-31-11-7-16(8-12-31)19-14-17(23(24,25)26)2-4-21(19)34(27,32)33/h2-6,9,14,16H,7-8,10-13H2,1H3,(H,29,30)(H2,27,32,33)
InChIKeyLOJKZJXLOGTLQP-UHFFFAOYSA-N
MW493.56 g/mol
LogP3.90
Rot. Bonds6

About 2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide

2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 154249726) has the molecular formula C23H26F3N5O2S and a molecular weight of 493.56 g/mol. Its IUPAC name is 2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID154249726
Molecular FormulaC23H26F3N5O2S
Molecular Weight493.56 g/mol
Exact Mass493.18
IUPAC Name2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1nccc2nc(NCCN3CCC(c4cc(C(F)(F)F)ccc4S(N)(=O)=O)CC3)ccc12
InChIInChI=1S/C23H26F3N5O2S/c1-15-18-3-5-22(30-20(18)6-9-28-15)29-10-13-31-11-7-16(8-12-31)19-14-17(23(24,25)26)2-4-21(19)34(27,32)33/h2-6,9,14,16H,7-8,10-13H2,1H3,(H,29,30)(H2,27,32,33)
InChIKeyLOJKZJXLOGTLQP-UHFFFAOYSA-N
XLogP3.90
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 154249726) is 2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide is Cc1nccc2nc(NCCN3CCC(c4cc(C(F)(F)F)ccc4S(N)(=O)=O)CC3)ccc12.
What is the InChIKey of 2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LOJKZJXLOGTLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2S/c1-15-18-3-5-22(30-20(18)6-9-28-15)29-10-13-31-11-7-16(8-12-31)19-14-17(23(24,25)26)2-4-21(19)34(27,32)33/h2-6,9,14,16H,7-8,10-13H2,1H3,(H,29,30)(H2,27,32,33).
What are the key properties of 2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 493.56 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(5-methyl-1,6-naphthyridin-2-yl)amino]ethyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 154249726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).