N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C17H20N4O3S — CID 3242213

IUPACN-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C17H20N4O3S/c22-17(20-12-14-3-1-7-18-11-14)15-5-9-21(10-6-15)25(23,24)16-4-2-8-19-13-16/h1-4,7-8,11,13,15H,5-6,9-10,12H2,(H,20,22)
InChIKeyDUCCGPDDFAZSQE-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.19
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3242213) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID3242213
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C17H20N4O3S/c22-17(20-12-14-3-1-7-18-11-14)15-5-9-21(10-6-15)25(23,24)16-4-2-8-19-13-16/h1-4,7-8,11,13,15H,5-6,9-10,12H2,(H,20,22)
InChIKeyDUCCGPDDFAZSQE-UHFFFAOYSA-N
XLogP1.19
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
Sulfonamide deriv., 7i
CID 44520905
2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 2991744
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3161025
1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 649951
4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 3888077
(4-Pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone
CID 62705315
1-[(4-Piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 66609911
1-(4-Piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610798
1-[4-(4-Methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610852
1-[4-(3-Methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610937
1-[4-(Pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide
CID 66610946

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 3242213) is N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is DUCCGPDDFAZSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-17(20-12-14-3-1-7-18-11-14)15-5-9-21(10-6-15)25(23,24)16-4-2-8-19-13-16/h1-4,7-8,11,13,15H,5-6,9-10,12H2,(H,20,22).
What are the key properties of N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3242213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).