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

C24H31FN4O3S — CID 118730333

IUPACN-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCc1ccc(C2CC2)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H31FN4O3S/c1-16(18-8-11-22(20(25)14-18)28-33(2,31)32)24(30)26-15-19-9-10-21(17-6-7-17)27-23(19)29-12-4-3-5-13-29/h8-11,14,16-17,28H,3-7,12-13,15H2,1-2H3,(H,26,30)
InChIKeyANKZVVIXDYUWJS-UHFFFAOYSA-N
MW474.60 g/mol
LogP3.88
Rot. Bonds8

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

N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 118730333) has the molecular formula C24H31FN4O3S and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID118730333
Molecular FormulaC24H31FN4O3S
Molecular Weight474.60 g/mol
Exact Mass474.21
IUPAC NameN-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCc1ccc(C2CC2)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H31FN4O3S/c1-16(18-8-11-22(20(25)14-18)28-33(2,31)32)24(30)26-15-19-9-10-21(17-6-7-17)27-23(19)29-12-4-3-5-13-29/h8-11,14,16-17,28H,3-7,12-13,15H2,1-2H3,(H,26,30)
InChIKeyANKZVVIXDYUWJS-UHFFFAOYSA-N
XLogP3.88
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(azepan-1-yl)-6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873542
(2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25063639
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]methyl]propanamide
CID 58873411
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 89437553
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 25063518
2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 25104001
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanethioamide
CID 58873531
N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide
CID 71539635
N-[4-[5-[2-(azepan-1-yl)-6-[chloro(difluoro)methyl]-3-pyridinyl]-3-oxopentan-2-yl]-2-fluorophenyl]methanesulfonamide
CID 161062741
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 25063516
2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-phenylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 71534546
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25104700

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (CID 118730333) is N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is CC(C(=O)NCc1ccc(C2CC2)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is ANKZVVIXDYUWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3S/c1-16(18-8-11-22(20(25)14-18)28-33(2,31)32)24(30)26-15-19-9-10-21(17-6-7-17)27-23(19)29-12-4-3-5-13-29/h8-11,14,16-17,28H,3-7,12-13,15H2,1-2H3,(H,26,30).
What are the key properties of N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 474.60 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 118730333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).