6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C15H18N4O4S2 — CID 118612974

IUPAC6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1cc(OC2CN(S(C)(=O)=O)C2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C15H18N4O4S2/c1-9-4-11(23-12-6-19(7-12)25(3,21)22)5-13(16-9)14(20)18-15-17-10(2)8-24-15/h4-5,8,12H,6-7H2,1-3H3,(H,17,18,20)
InChIKeyOELMUQDCSAWOAD-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.43
Rot. Bonds5

About 6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 118612974) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID118612974
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1cc(OC2CN(S(C)(=O)=O)C2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C15H18N4O4S2/c1-9-4-11(23-12-6-19(7-12)25(3,21)22)5-13(16-9)14(20)18-15-17-10(2)8-24-15/h4-5,8,12H,6-7H2,1-3H3,(H,17,18,20)
InChIKeyOELMUQDCSAWOAD-UHFFFAOYSA-N
XLogP1.43
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 118612974) is 6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1cc(OC2CN(S(C)(=O)=O)C2)cc(C(=O)Nc2nc(C)cs2)n1.
What is the InChIKey of 6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is OELMUQDCSAWOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-9-4-11(23-12-6-19(7-12)25(3,21)22)5-13(16-9)14(20)18-15-17-10(2)8-24-15/h4-5,8,12H,6-7H2,1-3H3,(H,17,18,20).
What are the key properties of 6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(1-methylsulfonylazetidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118612974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).