1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide

C18H22N4O4S — CID 90521554

IUPAC1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c1=O
InChIInChI=1S/C18H22N4O4S/c1-21-9-3-5-16(18(21)24)17(23)20-12-14-6-10-22(11-7-14)27(25,26)15-4-2-8-19-13-15/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,20,23)
InChIKeyTVDQYQYZESLFGZ-UHFFFAOYSA-N
MW390.47 g/mol
LogP0.61
Rot. Bonds5

About 1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide

1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 90521554) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID90521554
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c1=O
InChIInChI=1S/C18H22N4O4S/c1-21-9-3-5-16(18(21)24)17(23)20-12-14-6-10-22(11-7-14)27(25,26)15-4-2-8-19-13-15/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,20,23)
InChIKeyTVDQYQYZESLFGZ-UHFFFAOYSA-N
XLogP0.61
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
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
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521543
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 90521562
N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521056
1-(3,5-dimethylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521683
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
CID 90521514
N'-(3,5-dimethylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521064

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide (CID 90521554) is 1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide is Cn1cccc(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is TVDQYQYZESLFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-21-9-3-5-16(18(21)24)17(23)20-12-14-6-10-22(11-7-14)27(25,26)15-4-2-8-19-13-15/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,20,23).
What are the key properties of 1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 90521554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).