N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide

C30H39N5O5S — CID 153427216

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide (PubChem CID 153427216) has the molecular formula C30H39N5O5S and a molecular weight of 581.74 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide
• PubChem CID: 153427216
• Molecular Formula: C30H39N5O5S
• Molecular Weight: 581.74 g/mol
• Exact Mass: 581.27
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide
• SMILES: Cc1cc(OCC(C)C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)(C)OCC3(C)C)n2)c1
• InChI: InChI=1S/C30H39N5O5S/c1-19(2)16-39-22-14-20(3)13-21(15-22)24-12-11-23(27(32-24)35-17-30(6,7)40-18-29(35,4)5)28(36)34-41(37,38)26-10-8-9-25(31)33-26/h8-15,19H,16-18H2,1-7H3,(H2,31,33)(H,34,36)
• InChIKey: HULVNJWIWPAQRV-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 136.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.74
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide (CID 153427216) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide is Cc1cc(OCC(C)C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)(C)OCC3(C)C)n2)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide?

The InChIKey is HULVNJWIWPAQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O5S/c1-19(2)16-39-22-14-20(3)13-21(15-22)24-12-11-23(27(32-24)35-17-30(6,7)40-18-29(35,4)5)28(36)34-41(37,38)26-10-8-9-25(31)33-26/h8-15,19H,16-18H2,1-7H3,(H2,31,33)(H,34,36).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide has a molecular weight of 581.74 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).