4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide

C19H20N4O3S — CID 90521543

IUPAC4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C19H20N4O3S/c20-12-15-3-5-17(6-4-15)19(24)22-13-16-7-10-23(11-8-16)27(25,26)18-2-1-9-21-14-18/h1-6,9,14,16H,7-8,10-11,13H2,(H,22,24)
InChIKeyLIIORTGKTHOJCP-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.78
Rot. Bonds5

About 4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide

4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide (PubChem CID 90521543) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
PubChem CID90521543
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C19H20N4O3S/c20-12-15-3-5-17(6-4-15)19(24)22-13-16-7-10-23(11-8-16)27(25,26)18-2-1-9-21-14-18/h1-6,9,14,16H,7-8,10-11,13H2,(H,22,24)
InChIKeyLIIORTGKTHOJCP-UHFFFAOYSA-N
XLogP1.78
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521613
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521554
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 90521562
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
CID 90521514
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902817
4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521460

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide (CID 90521543) is 4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide is N#Cc1ccc(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of 4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide?
The InChIKey is LIIORTGKTHOJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c20-12-15-3-5-17(6-4-15)19(24)22-13-16-7-10-23(11-8-16)27(25,26)18-2-1-9-21-14-18/h1-6,9,14,16H,7-8,10-11,13H2,(H,22,24).
What are the key properties of 4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide?
4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 90521543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).