N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

C23H29F3N4O3S — CID 58873299

IUPACN-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC1CCN(c2nc(C(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1
InChIInChI=1S/C23H29F3N4O3S/c1-14-8-10-30(11-9-14)22-17(5-7-20(28-22)21(25)26)13-27-23(31)15(2)16-4-6-19(18(24)12-16)29-34(3,32)33/h4-7,12,14-15,21,29H,8-11,13H2,1-3H3,(H,27,31)
InChIKeyKWIVOFFHASKQDZ-UHFFFAOYSA-N
MW498.57 g/mol
LogP4.19
Rot. Bonds8

About N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 58873299) has the molecular formula C23H29F3N4O3S and a molecular weight of 498.57 g/mol. Its IUPAC name is N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID58873299
Molecular FormulaC23H29F3N4O3S
Molecular Weight498.57 g/mol
Exact Mass498.19
IUPAC NameN-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC1CCN(c2nc(C(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1
InChIInChI=1S/C23H29F3N4O3S/c1-14-8-10-30(11-9-14)22-17(5-7-20(28-22)21(25)26)13-27-23(31)15(2)16-4-6-19(18(24)12-16)29-34(3,32)33/h4-7,12,14-15,21,29H,8-11,13H2,1-3H3,(H,27,31)
InChIKeyKWIVOFFHASKQDZ-UHFFFAOYSA-N
XLogP4.19
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea
CID 71506872
4-fluoro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 11741442
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16223604
N-[[2-(dipropylamino)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 16223608
N-[[2-(4-benzylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 16223644
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16223803
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pentyl-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16224036
2-[4-(methanesulfonamido)-3-methylphenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16224446
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-methylphenyl)ethyl]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16225031
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpentyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16225032
N-[[2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 16225243
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(E)-pent-1-enyl]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16225448

Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (CID 58873299) is N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is CC1CCN(c2nc(C(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1.
What is the InChIKey of N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is KWIVOFFHASKQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O3S/c1-14-8-10-30(11-9-14)22-17(5-7-20(28-22)21(25)26)13-27-23(31)15(2)16-4-6-19(18(24)12-16)29-34(3,32)33/h4-7,12,14-15,21,29H,8-11,13H2,1-3H3,(H,27,31).
What are the key properties of N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 498.57 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 58873299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).