5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C20H23N5O4S — CID 118470263

IUPAC5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCOC1(C)CN(S(=O)(=O)c2ccc(C)c(-c3cnc(N)c(-c4nc(C)no4)c3)c2)C1
InChIInChI=1S/C20H23N5O4S/c1-12-5-6-15(30(26,27)25-10-20(3,11-25)28-4)8-16(12)14-7-17(18(21)22-9-14)19-23-13(2)24-29-19/h5-9H,10-11H2,1-4H3,(H2,21,22)
InChIKeyBIOXPRCKGAVLPC-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.41
Rot. Bonds5

About 5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 118470263) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID118470263
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCOC1(C)CN(S(=O)(=O)c2ccc(C)c(-c3cnc(N)c(-c4nc(C)no4)c3)c2)C1
InChIInChI=1S/C20H23N5O4S/c1-12-5-6-15(30(26,27)25-10-20(3,11-25)28-4)8-16(12)14-7-17(18(21)22-9-14)19-23-13(2)24-29-19/h5-9H,10-11H2,1-4H3,(H2,21,22)
InChIKeyBIOXPRCKGAVLPC-UHFFFAOYSA-N
XLogP2.41
TPSA124.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 118470135
5-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-amine
CID 118470123
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-dimethylbenzenesulfonamide
CID 139499925
[(2S)-1-[3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methylphenyl]sulfonylpyrrolidin-2-yl]methanol
CID 118469981
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzenesulfonamide
CID 118469990
[(2S)-1-[3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methylphenyl]sulfonylpyrrolidin-2-yl]methanol;sulfane
CID 159510129
[1-[3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylphenyl]sulfonylazetidin-3-yl]methanol
CID 118469975
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 118470166
1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860179
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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of 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) is 5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for 5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is COC1(C)CN(S(=O)(=O)c2ccc(C)c(-c3cnc(N)c(-c4nc(C)no4)c3)c2)C1.
What is the InChIKey of 5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is BIOXPRCKGAVLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-12-5-6-15(30(26,27)25-10-20(3,11-25)28-4)8-16(12)14-7-17(18(21)22-9-14)19-23-13(2)24-29-19/h5-9H,10-11H2,1-4H3,(H2,21,22).
What are the key properties of 5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 429.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-methoxy-3-methylazetidin-1-yl)sulfonyl-2-methylphenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 118470263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).