N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide

C20H20F2N4O3S — CID 122430747

IUPACN-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide
SMILESC[C@](F)(C1CCN(C(=O)Nc2ccc(C#N)nc2)CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C20H20F2N4O3S/c1-20(22,30(28,29)18-4-2-3-15(21)11-18)14-7-9-26(10-8-14)19(27)25-17-6-5-16(12-23)24-13-17/h2-6,11,13-14H,7-10H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyCHZSTTOWSPZMED-HXUWFJFHSA-N
MW434.47 g/mol
LogP3.50
Rot. Bonds4

About N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide

N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide (PubChem CID 122430747) has the molecular formula C20H20F2N4O3S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide
PubChem CID122430747
Molecular FormulaC20H20F2N4O3S
Molecular Weight434.47 g/mol
Exact Mass434.12
IUPAC NameN-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide
SMILESC[C@](F)(C1CCN(C(=O)Nc2ccc(C#N)nc2)CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C20H20F2N4O3S/c1-20(22,30(28,29)18-4-2-3-15(21)11-18)14-7-9-26(10-8-14)19(27)25-17-6-5-16(12-23)24-13-17/h2-6,11,13-14H,7-10H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyCHZSTTOWSPZMED-HXUWFJFHSA-N
XLogP3.50
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-cyano-3-pyridinyl)-4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidine-1-carboxamide
CID 122484415
tert-butyl 4-[[4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carbonyl]amino]pyrazole-1-carboxylate
CID 122424446
4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 122430326
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430795
4-[1-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430677
N-(6-cyano-3-pyridinyl)-4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfanyl-1-fluoroethyl]piperidine-1-carboxamide
CID 145127521
4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;phenyl 2-pyridazin-4-ylacetate
CID 157096892
4-[difluoro-(3-fluorophenyl)sulfonylmethyl]-N-[2-(1-hydroxyethyl)-4-pyridinyl]piperidine-1-carboxamide
CID 139451750
deuterio(fluoro)methane;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(6-methylpyridazin-4-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine;6-methylpyridazine-4-carboxylic acid
CID 159046087
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122430517
4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122424247
4-[difluoro-(3-fluorophenyl)sulfonylmethyl]piperidine-1-carboxylic acid
CID 122424290

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide?
The IUPAC name of N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide (CID 122430747) is N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide is C[C@](F)(C1CCN(C(=O)Nc2ccc(C#N)nc2)CC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide?
The InChIKey is CHZSTTOWSPZMED-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20F2N4O3S/c1-20(22,30(28,29)18-4-2-3-15(21)11-18)14-7-9-26(10-8-14)19(27)25-17-6-5-16(12-23)24-13-17/h2-6,11,13-14H,7-10H2,1H3,(H,25,27)/t20-/m1/s1.
What are the key properties of N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide?
N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 122430747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).