3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide

C25H32F4N4O2 — CID 70913559

IUPAC3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide
SMILESCCN(c1cc(C(F)(F)F)cc(C(=O)NCc2c(C)c(F)c(C)[nH]c2=O)c1C)C1CCN(C)CC1
InChIInChI=1S/C25H32F4N4O2/c1-6-33(18-7-9-32(5)10-8-18)21-12-17(25(27,28)29)11-19(14(21)2)23(34)30-13-20-15(3)22(26)16(4)31-24(20)35/h11-12,18H,6-10,13H2,1-5H3,(H,30,34)(H,31,35)
InChIKeyBGONWXAOUZXFKY-UHFFFAOYSA-N
MW496.55 g/mol
LogP4.31
Rot. Bonds6

About 3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide

3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide (PubChem CID 70913559) has the molecular formula C25H32F4N4O2 and a molecular weight of 496.55 g/mol. Its IUPAC name is 3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide
PubChem CID70913559
Molecular FormulaC25H32F4N4O2
Molecular Weight496.55 g/mol
Exact Mass496.25
IUPAC Name3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide
SMILESCCN(c1cc(C(F)(F)F)cc(C(=O)NCc2c(C)c(F)c(C)[nH]c2=O)c1C)C1CCN(C)CC1
InChIInChI=1S/C25H32F4N4O2/c1-6-33(18-7-9-32(5)10-8-18)21-12-17(25(27,28)29)11-19(14(21)2)23(34)30-13-20-15(3)22(26)16(4)31-24(20)35/h11-12,18H,6-10,13H2,1-5H3,(H,30,34)(H,31,35)
InChIKeyBGONWXAOUZXFKY-UHFFFAOYSA-N
XLogP4.31
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide 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 3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide (CID 70913559) is 3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide is CCN(c1cc(C(F)(F)F)cc(C(=O)NCc2c(C)c(F)c(C)[nH]c2=O)c1C)C1CCN(C)CC1.
What is the InChIKey of 3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is BGONWXAOUZXFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F4N4O2/c1-6-33(18-7-9-32(5)10-8-18)21-12-17(25(27,28)29)11-19(14(21)2)23(34)30-13-20-15(3)22(26)16(4)31-24(20)35/h11-12,18H,6-10,13H2,1-5H3,(H,30,34)(H,31,35).
What are the key properties of 3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide?
3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 496.55 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70913559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).