N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C29H34FN5O4S — CID 121252732

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121252732) has the molecular formula C29H34FN5O4S and a molecular weight of 567.69 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 121252732
• Molecular Formula: C29H34FN5O4S
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.23
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC34CCCC4)n2)c1
• InChI: InChI=1S/C29H34FN5O4S/c1-19(2)18-39-22-16-20(15-21(30)17-22)24-10-9-23(27(32-24)35-14-6-13-29(35)11-3-4-12-29)28(36)34-40(37,38)26-8-5-7-25(31)33-26/h5,7-10,15-17,19H,3-4,6,11-14,18H2,1-2H3,(H2,31,33)(H,34,36)
• InChIKey: SWGMMHMLUFCRLH-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	4.93
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]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121252732) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC34CCCC4)n2)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is SWGMMHMLUFCRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O4S/c1-19(2)18-39-22-16-20(15-21(30)17-22)24-10-9-23(27(32-24)35-14-6-13-29(35)11-3-4-12-29)28(36)34-40(37,38)26-8-5-7-25(31)33-26/h5,7-10,15-17,19H,3-4,6,11-14,18H2,1-2H3,(H2,31,33)(H,34,36).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 567.69 g/mol, XLogP of 4.93, 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]-2-(1-azaspiro[4.4]nonan-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121252732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).