N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide

C17H26N4O3S — CID 52508320

IUPACN-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)C1
InChIInChI=1S/C17H26N4O3S/c1-14-4-3-9-21(13-14)25(23,24)20-10-6-16(7-11-20)19-17(22)15-5-2-8-18-12-15/h2,5,8,12,14,16H,3-4,6-7,9-11,13H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeySLFROOPNWNPJLQ-CQSZACIVSA-N
MW366.49 g/mol
LogP1.25
Rot. Bonds4

About N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide

N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide (PubChem CID 52508320) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide
PubChem CID52508320
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC NameN-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)C1
InChIInChI=1S/C17H26N4O3S/c1-14-4-3-9-21(13-14)25(23,24)20-10-6-16(7-11-20)19-17(22)15-5-2-8-18-12-15/h2,5,8,12,14,16H,3-4,6-7,9-11,13H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeySLFROOPNWNPJLQ-CQSZACIVSA-N
XLogP1.25
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide
CID 136576495
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 3458992
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813459
N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47797104
N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111146016
N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813446
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide (CID 52508320) is N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide is C[C@@H]1CCCN(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)C1.
What is the InChIKey of N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is SLFROOPNWNPJLQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-14-4-3-9-21(13-14)25(23,24)20-10-6-16(7-11-20)19-17(22)15-5-2-8-18-12-15/h2,5,8,12,14,16H,3-4,6-7,9-11,13H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 52508320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).