4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine

C20H20ClFN4O4S — CID 174161442

IUPAC4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine
SMILESCNS(=O)(=O)Nc1nccc(Cc2cncc(Oc3ccc(Cl)cc3F)c2C)c1OC
InChIInChI=1S/C20H20ClFN4O4S/c1-12-14(10-24-11-18(12)30-17-5-4-15(21)9-16(17)22)8-13-6-7-25-20(19(13)29-3)26-31(27,28)23-2/h4-7,9-11,23H,8H2,1-3H3,(H,25,26)
InChIKeyIMHQNLCFLBMAKE-UHFFFAOYSA-N
MW466.92 g/mol
LogP3.85
Rot. Bonds8

About 4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine

4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine (PubChem CID 174161442) has the molecular formula C20H20ClFN4O4S and a molecular weight of 466.92 g/mol. Its IUPAC name is 4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine
PubChem CID174161442
Molecular FormulaC20H20ClFN4O4S
Molecular Weight466.92 g/mol
Exact Mass466.09
IUPAC Name4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine
SMILESCNS(=O)(=O)Nc1nccc(Cc2cncc(Oc3ccc(Cl)cc3F)c2C)c1OC
InChIInChI=1S/C20H20ClFN4O4S/c1-12-14(10-24-11-18(12)30-17-5-4-15(21)9-16(17)22)8-13-6-7-25-20(19(13)29-3)26-31(27,28)23-2/h4-7,9-11,23H,8H2,1-3H3,(H,25,26)
InChIKeyIMHQNLCFLBMAKE-UHFFFAOYSA-N
XLogP3.85
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.92
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine with MolForge

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Related Compounds

2-bromo-4-[[5-(2-fluoro-4-methylphenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxypyridine
CID 174161709
4-[[5-(4-chlorophenyl)sulfanyl-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine
CID 174161472
4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine
CID 177270251
4-[[5-(3-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine
CID 174161807
4-[[3-(4-chloro-2-fluoroanilino)-2-methylphenyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine
CID 174163632
tert-butyl N-[3-fluoro-4-[[5-(2-fluoro-4-methoxyphenoxy)-4-methyl-3-pyridinyl]methyl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 174161713
tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate
CID 174161946
4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
CID 174161437
N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine
CID 174161802
3-fluoro-N-(methylsulfamoyl)-4-[[4-methyl-5-[[5-(trifluoromethoxy)-2-pyridinyl]amino]-3-pyridinyl]methyl]pyridin-2-amine
CID 174163631
4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
CID 174161455
4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine
CID 174161646

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine?
The IUPAC name of 4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine (CID 174161442) is 4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine.
What is the SMILES notation for 4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine?
The canonical SMILES for 4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine is CNS(=O)(=O)Nc1nccc(Cc2cncc(Oc3ccc(Cl)cc3F)c2C)c1OC.
What is the InChIKey of 4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine?
The InChIKey is IMHQNLCFLBMAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O4S/c1-12-14(10-24-11-18(12)30-17-5-4-15(21)9-16(17)22)8-13-6-7-25-20(19(13)29-3)26-31(27,28)23-2/h4-7,9-11,23H,8H2,1-3H3,(H,25,26).
What are the key properties of 4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine?
4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine has a molecular weight of 466.92 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine is sourced from PubChem (CID 174161442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).