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

C20H23N5O4S — CID 118470135

IUPAC3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCc1noc(-c2cc(-c3cc(S(=O)(=O)NC[C@H]4CCOC4)ccc3C)cnc2N)n1
InChIInChI=1S/C20H23N5O4S/c1-12-3-4-16(30(26,27)23-9-14-5-6-28-11-14)8-17(12)15-7-18(19(21)22-10-15)20-24-13(2)25-29-20/h3-4,7-8,10,14,23H,5-6,9,11H2,1-2H3,(H2,21,22)/t14-/m1/s1
InChIKeyGNQPFHFGZVJSCD-CQSZACIVSA-N
MW429.50 g/mol
LogP2.31
Rot. Bonds6

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

3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide (PubChem CID 118470135) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
PubChem CID118470135
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCc1noc(-c2cc(-c3cc(S(=O)(=O)NC[C@H]4CCOC4)ccc3C)cnc2N)n1
InChIInChI=1S/C20H23N5O4S/c1-12-3-4-16(30(26,27)23-9-14-5-6-28-11-14)8-17(12)15-7-18(19(21)22-10-15)20-24-13(2)25-29-20/h3-4,7-8,10,14,23H,5-6,9,11H2,1-2H3,(H2,21,22)/t14-/m1/s1
InChIKeyGNQPFHFGZVJSCD-CQSZACIVSA-N
XLogP2.31
TPSA133.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide;hydrochloride
CID 126512138
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
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[2-(oxan-4-yl)ethyl]benzenesulfonamide
CID 126512423
3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 126569975
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-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 118470041
3-[6-amino-5-(5-methyl-1H-pyrrol-2-yl)-3-pyridinyl]-N-[(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide
CID 141469182
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzenesulfonamide
CID 118469990
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 126512349
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 118470166
3-amino-4-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725059

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 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) is 3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is Cc1noc(-c2cc(-c3cc(S(=O)(=O)NC[C@H]4CCOC4)ccc3C)cnc2N)n1.
What is the InChIKey of 3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The InChIKey is GNQPFHFGZVJSCD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-12-3-4-16(30(26,27)23-9-14-5-6-28-11-14)8-17(12)15-7-18(19(21)22-10-15)20-24-13(2)25-29-20/h3-4,7-8,10,14,23H,5-6,9,11H2,1-2H3,(H2,21,22)/t14-/m1/s1.
What are the key properties of 3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide has a molecular weight of 429.50 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 118470135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).