N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide

C22H24N4O5S — CID 14130136

IUPACN-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)CN1CCC(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C22H24N4O5S/c1-14-19(11-17(12-23)22(29)24-14)20(27)13-26-9-7-16(8-10-26)21(28)15-3-5-18(6-4-15)25-32(2,30)31/h3-6,11,16,25H,7-10,13H2,1-2H3,(H,24,29)
InChIKeyREONLTJAZDLARE-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.70
Rot. Bonds7

About N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide

N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide (PubChem CID 14130136) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide
PubChem CID14130136
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)CN1CCC(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C22H24N4O5S/c1-14-19(11-17(12-23)22(29)24-14)20(27)13-26-9-7-16(8-10-26)21(28)15-3-5-18(6-4-15)25-32(2,30)31/h3-6,11,16,25H,7-10,13H2,1-2H3,(H,24,29)
InChIKeyREONLTJAZDLARE-UHFFFAOYSA-N
XLogP1.70
TPSA140.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide
CID 15816994
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998847
N-[4-[1-(pyridin-3-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
CID 14130060
N-[4-[2-[3-(4-chlorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998840
N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide
CID 62907557
6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
CID 70747234
N-[4-[1-(3-oxo-2-pyridin-3-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
CID 174247981
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 60712935
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43228110
5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70731720

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide (CID 14130136) is N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide is Cc1[nH]c(=O)c(C#N)cc1C(=O)CN1CCC(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide?
The InChIKey is REONLTJAZDLARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-14-19(11-17(12-23)22(29)24-14)20(27)13-26-9-7-16(8-10-26)21(28)15-3-5-18(6-4-15)25-32(2,30)31/h3-6,11,16,25H,7-10,13H2,1-2H3,(H,24,29).
What are the key properties of N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide?
N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide has a molecular weight of 456.52 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14130136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).