6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one

C32H35N3O4S — CID 139557820

IUPAC6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(S(=O)(=O)c2ccc(-c3ccncc3C)cc2)c(O)c1N1CCCCC1c1ccccc1
InChIInChI=1S/C32H35N3O4S/c1-3-4-12-27-29(35-20-9-8-13-28(35)24-10-6-5-7-11-24)30(36)31(32(37)34-27)40(38,39)25-16-14-23(15-17-25)26-18-19-33-21-22(26)2/h5-7,10-11,14-19,21,28H,3-4,8-9,12-13,20H2,1-2H3,(H2,34,36,37)
InChIKeyLKBUKCBOEWLQBB-UHFFFAOYSA-N
MW557.72 g/mol
LogP6.36
Rot. Bonds8

About 6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one

6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one (PubChem CID 139557820) has the molecular formula C32H35N3O4S and a molecular weight of 557.72 g/mol. Its IUPAC name is 6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one
PubChem CID139557820
Molecular FormulaC32H35N3O4S
Molecular Weight557.72 g/mol
Exact Mass557.23
IUPAC Name6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(S(=O)(=O)c2ccc(-c3ccncc3C)cc2)c(O)c1N1CCCCC1c1ccccc1
InChIInChI=1S/C32H35N3O4S/c1-3-4-12-27-29(35-20-9-8-13-28(35)24-10-6-5-7-11-24)30(36)31(32(37)34-27)40(38,39)25-16-14-23(15-17-25)26-18-19-33-21-22(26)2/h5-7,10-11,14-19,21,28H,3-4,8-9,12-13,20H2,1-2H3,(H2,34,36,37)
InChIKeyLKBUKCBOEWLQBB-UHFFFAOYSA-N
XLogP6.36
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.72
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one with MolForge

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Related Compounds

6-butyl-5-(N-ethyl-3,5-dimethylanilino)-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-1H-pyridin-2-one
CID 139557832
6-butyl-4-hydroxy-3-[4-(2-methyl-3-pyridinyl)phenyl]sulfonyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1H-pyridin-2-one
CID 139557823
6-butyl-5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfanyl-1H-pyridin-2-one
CID 155052557
6-hydroxy-3-[(1R)-2-hydroxy-1-phenylethyl]-5-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-2-pentylpyrimidin-4-one
CID 139292746
3-[(S)-[2-butyl-4-hydroxy-5-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-6-oxopyrimidin-1-yl]-cyclopropylmethyl]benzonitrile
CID 138697938
3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine
CID 157370024
6-butyl-5-(3-chloro-N-methylanilino)-3-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]sulfonyl-4-hydroxy-1H-pyridin-2-one
CID 139576630
3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 146222359
3-[[2-butyl-5-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]sulfonyl-4-hydroxy-6-oxo-1H-pyridin-3-yl]-methylamino]benzonitrile
CID 139576902
6-hydroxy-3-(2-methoxy-1-phenylethyl)-5-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-2-(oxolan-2-yl)pyrimidin-4-one
CID 138698128
4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
CID 176837585
1-(2-methyl-1H-imidazol-5-yl)-2-phenylpiperidine
CID 67815603

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one?
The IUPAC name of 6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one (CID 139557820) is 6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(S(=O)(=O)c2ccc(-c3ccncc3C)cc2)c(O)c1N1CCCCC1c1ccccc1.
What is the InChIKey of 6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one?
The InChIKey is LKBUKCBOEWLQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4S/c1-3-4-12-27-29(35-20-9-8-13-28(35)24-10-6-5-7-11-24)30(36)31(32(37)34-27)40(38,39)25-16-14-23(15-17-25)26-18-19-33-21-22(26)2/h5-7,10-11,14-19,21,28H,3-4,8-9,12-13,20H2,1-2H3,(H2,34,36,37).
What are the key properties of 6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one?
6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one has a molecular weight of 557.72 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-hydroxy-3-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-5-(2-phenylpiperidin-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 139557820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).