N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide

C21H25F2N3O3S — CID 58442893

IUPACN-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide
SMILESCCCS(=O)(=O)N1CCC(CC(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1
InChIInChI=1S/C21H25F2N3O3S/c1-2-9-30(28,29)26-7-5-15(6-8-26)10-21(27)25-20-4-3-16(14-24-20)17-11-18(22)13-19(23)12-17/h3-4,11-15H,2,5-10H2,1H3,(H,24,25,27)
InChIKeyROOTXKGRADOUKK-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.81
Rot. Bonds7

About N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide

N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide (PubChem CID 58442893) has the molecular formula C21H25F2N3O3S and a molecular weight of 437.51 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide
PubChem CID58442893
Molecular FormulaC21H25F2N3O3S
Molecular Weight437.51 g/mol
Exact Mass437.16
IUPAC NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide
SMILESCCCS(=O)(=O)N1CCC(CC(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1
InChIInChI=1S/C21H25F2N3O3S/c1-2-9-30(28,29)26-7-5-15(6-8-26)10-21(27)25-20-4-3-16(14-24-20)17-11-18(22)13-19(23)12-17/h3-4,11-15H,2,5-10H2,1H3,(H,24,25,27)
InChIKeyROOTXKGRADOUKK-UHFFFAOYSA-N
XLogP3.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Velneperit
CID 20629114
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
Fuzapladib
CID 154529
1-methylsulfonyl-N-pyridin-2-yl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 60210915
2-phenyl-N-(2-pyridinyl)butanamide
CID 2852795
1-[5-(4-Benzylpiperidin-1-yl)sulfonylpyridin-2-yl]piperidine-4-carboxamide
CID 4877575
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide
CID 46912327
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide
CID 46913512
cis-4-(2-Oxo-piperidin-1-yl)-cyclohexanecarboxylic acid [5-(3,5-difluoro-phenyl)-pyridin-2-yl]-amide
CID 46913706
2-[3-fluoro-4-(propan-2-ylsulfonylamino)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873256

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide (CID 58442893) is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide is CCCS(=O)(=O)N1CCC(CC(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is ROOTXKGRADOUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O3S/c1-2-9-30(28,29)26-7-5-15(6-8-26)10-21(27)25-20-4-3-16(14-24-20)17-11-18(22)13-19(23)12-17/h3-4,11-15H,2,5-10H2,1H3,(H,24,25,27).
What are the key properties of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide?
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 437.51 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 58442893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).