N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen

C29H40FN5O4S — CID 159263393

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 159263393) has the molecular formula C29H40FN5O4S and a molecular weight of 573.74 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 159263393
• Molecular Formula: C29H40FN5O4S
• Molecular Weight: 573.74 g/mol
• Exact Mass: 573.28
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)CC34CCC4)n2)c1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C29H34FN5O4S.3H2/c1-18(2)17-39-22-13-20(12-21(30)14-22)24-9-8-23(27(32-24)35-16-19(3)15-29(35)10-5-11-29)28(36)34-40(37,38)26-7-4-6-25(31)33-26;;;/h4,6-9,12-14,18-19H,5,10-11,15-17H2,1-3H3,(H2,31,33)(H,34,36);3*1H
• InChIKey: KWUGRJFMROJVJV-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.74
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen (CID 159263393) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)CC34CCC4)n2)c1.[H][H].[H][H].[H][H].

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is KWUGRJFMROJVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O4S.3H2/c1-18(2)17-39-22-13-20(12-21(30)14-22)24-9-8-23(27(32-24)35-16-19(3)15-29(35)10-5-11-29)28(36)34-40(37,38)26-7-4-6-25(31)33-26;;;/h4,6-9,12-14,18-19H,5,10-11,15-17H2,1-3H3,(H2,31,33)(H,34,36);3*1H.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 573.74 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 159263393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).