4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine

C22H24N4O4S — CID 68945631

IUPAC4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine
SMILESCc1ccc(Oc2ccnc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2)c(C)n1
InChIInChI=1S/C22H24N4O4S/c1-16-6-7-21(17(2)24-16)30-19-8-9-23-22(15-19)25-18-4-3-5-20(14-18)31(27,28)26-10-12-29-13-11-26/h3-9,14-15H,10-13H2,1-2H3,(H,23,25)
InChIKeyXRXIHQKGMTZGDN-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.65
Rot. Bonds6

About 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine

4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine (PubChem CID 68945631) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine
PubChem CID68945631
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine
SMILESCc1ccc(Oc2ccnc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2)c(C)n1
InChIInChI=1S/C22H24N4O4S/c1-16-6-7-21(17(2)24-16)30-19-8-9-23-22(15-19)25-18-4-3-5-20(14-18)31(27,28)26-10-12-29-13-11-26/h3-9,14-15H,10-13H2,1-2H3,(H,23,25)
InChIKeyXRXIHQKGMTZGDN-UHFFFAOYSA-N
XLogP3.65
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine
CID 68941098
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-phenylpyridin-2-amine
CID 87630526
3-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]-3-oxopropanamide
CID 68849766
2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
CID 59543950
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide
CID 22203328
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline
CID 78795409
[3-(4-methylanilino)phenyl] 3-morpholin-4-ylsulfonylbenzoate
CID 1381654
3-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 11555376
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine
CID 25337050

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine (CID 68945631) is 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine is Cc1ccc(Oc2ccnc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2)c(C)n1.
What is the InChIKey of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine?
The InChIKey is XRXIHQKGMTZGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-16-6-7-21(17(2)24-16)30-19-8-9-23-22(15-19)25-18-4-3-5-20(14-18)31(27,28)26-10-12-29-13-11-26/h3-9,14-15H,10-13H2,1-2H3,(H,23,25).
What are the key properties of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine?
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine has a molecular weight of 440.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 68945631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).