N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide

C17H20N4O3S — CID 90521524

IUPACN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccnc1
InChIInChI=1S/C17H20N4O3S/c22-17(15-3-1-7-18-12-15)20-11-14-5-9-21(10-6-14)25(23,24)16-4-2-8-19-13-16/h1-4,7-8,12-14H,5-6,9-11H2,(H,20,22)
InChIKeyIUHOPTFOAALIIC-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.31
Rot. Bonds5

About N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 90521524) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID90521524
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccnc1
InChIInChI=1S/C17H20N4O3S/c22-17(15-3-1-7-18-12-15)20-11-14-5-9-21(10-6-14)25(23,24)16-4-2-8-19-13-16/h1-4,7-8,12-14H,5-6,9-11H2,(H,20,22)
InChIKeyIUHOPTFOAALIIC-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521543
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521613
1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521554
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
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
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
4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521460
1-(3,5-dimethylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521683
N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521056

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide (CID 90521524) is N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide is O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccnc1.
What is the InChIKey of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is IUHOPTFOAALIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-17(15-3-1-7-18-12-15)20-11-14-5-9-21(10-6-14)25(23,24)16-4-2-8-19-13-16/h1-4,7-8,12-14H,5-6,9-11H2,(H,20,22).
What are the key properties of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 90521524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).