2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide

C20H22N6O4S — CID 142797700

IUPAC2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide
SMILESCc1noc(-c2cc(-c3c(C)ccc([C@@H]4CCNC(=O)C4)c3S(N)(=O)=O)cnc2N)n1
InChIInChI=1S/C20H22N6O4S/c1-10-3-4-14(12-5-6-23-16(27)8-12)18(31(22,28)29)17(10)13-7-15(19(21)24-9-13)20-25-11(2)26-30-20/h3-4,7,9,12H,5-6,8H2,1-2H3,(H2,21,24)(H,23,27)(H2,22,28,29)/t12-/m1/s1
InChIKeyNMLKTYSAIICXFK-GFCCVEGCSA-N
MW442.50 g/mol
LogP1.64
Rot. Bonds4

About 2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide

2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide (PubChem CID 142797700) has the molecular formula C20H22N6O4S and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide
PubChem CID142797700
Molecular FormulaC20H22N6O4S
Molecular Weight442.50 g/mol
Exact Mass442.14
IUPAC Name2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide
SMILESCc1noc(-c2cc(-c3c(C)ccc([C@@H]4CCNC(=O)C4)c3S(N)(=O)=O)cnc2N)n1
InChIInChI=1S/C20H22N6O4S/c1-10-3-4-14(12-5-6-23-16(27)8-12)18(31(22,28)29)17(10)13-7-15(19(21)24-9-13)20-25-11(2)26-30-20/h3-4,7,9,12H,5-6,8H2,1-2H3,(H2,21,24)(H,23,27)(H2,22,28,29)/t12-/m1/s1
InChIKeyNMLKTYSAIICXFK-GFCCVEGCSA-N
XLogP1.64
TPSA167.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide
CID 142797685
3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 118470135
5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 118470263
3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 118470498
4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one
CID 53417897
5-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-2-chloro-4-(3-hydroxy-3-methylbutyl)benzenesulfonamide
CID 118470113
3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 135319537
(4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one
CID 124634526
4-(5-amino-6-methyl-2-pyridinyl)piperidin-2-one
CID 53417884
ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 171813495
5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 90273387
[(2S)-1-[3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methylphenyl]sulfonylpyrrolidin-2-yl]methanol
CID 118469981

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide (CID 142797700) is 2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide is Cc1noc(-c2cc(-c3c(C)ccc([C@@H]4CCNC(=O)C4)c3S(N)(=O)=O)cnc2N)n1.
What is the InChIKey of 2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide?
The InChIKey is NMLKTYSAIICXFK-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22N6O4S/c1-10-3-4-14(12-5-6-23-16(27)8-12)18(31(22,28)29)17(10)13-7-15(19(21)24-9-13)20-25-11(2)26-30-20/h3-4,7,9,12H,5-6,8H2,1-2H3,(H2,21,24)(H,23,27)(H2,22,28,29)/t12-/m1/s1.
What are the key properties of 2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide?
2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide has a molecular weight of 442.50 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-3-methyl-6-[(4R)-2-oxopiperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 142797700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).