N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C32H34N4O5S — CID 158505943

About N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 158505943) has the molecular formula C32H34N4O5S and a molecular weight of 586.71 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 158505943
• Molecular Formula: C32H34N4O5S
• Molecular Weight: 586.71 g/mol
• Exact Mass: 586.22
• IUPAC Name: N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(-c3cccc(CN4CCOCC4)c3)ccc2C(=O)NS(=O)(=O)c2cccc(C)n2)c(C)c1
• InChI: InChI=1S/C32H34N4O5S/c1-21-17-22(2)30(23(3)18-21)41-32-27(31(37)35-42(38,39)29-10-5-7-24(4)33-29)11-12-28(34-32)26-9-6-8-25(19-26)20-36-13-15-40-16-14-36/h5-12,17-19H,13-16,20H2,1-4H3,(H,35,37)
• InChIKey: NMDCSBJDGHFRSO-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 110.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.71
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 158505943) is N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3cccc(CN4CCOCC4)c3)ccc2C(=O)NS(=O)(=O)c2cccc(C)n2)c(C)c1.

What is the InChIKey of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The InChIKey is NMDCSBJDGHFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O5S/c1-21-17-22(2)30(23(3)18-21)41-32-27(31(37)35-42(38,39)29-10-5-7-24(4)33-29)11-12-28(34-32)26-9-6-8-25(19-26)20-36-13-15-40-16-14-36/h5-12,17-19H,13-16,20H2,1-4H3,(H,35,37).

What are the key properties of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 586.71 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[3-(morpholin-4-ylmethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 158505943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).