N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C33H36FN5O4S — CID 121250902

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121250902) has the molecular formula C33H36FN5O4S and a molecular weight of 617.75 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 121250902
• Molecular Formula: C33H36FN5O4S
• Molecular Weight: 617.75 g/mol
• Exact Mass: 617.25
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethyl-3-phenylpyrrolidin-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(N3C(C)CC(c4ccccc4)C3C)n2)c1
• InChI: InChI=1S/C33H36FN5O4S/c1-20(2)19-43-26-17-24(16-25(34)18-26)29-14-13-27(33(40)38-44(41,42)31-12-8-11-30(35)37-31)32(36-29)39-21(3)15-28(22(39)4)23-9-6-5-7-10-23/h5-14,16-18,20-22,28H,15,19H2,1-4H3,(H2,35,37)(H,38,40)
• InChIKey: UYMHNUPOSQYUOH-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.75
LogP ≤ 5	5.79
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-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121250902) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethyl-3-phenylpyrrolidin-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-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethyl-3-phenylpyrrolidin-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(N3C(C)CC(c4ccccc4)C3C)n2)c1.

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

The InChIKey is UYMHNUPOSQYUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN5O4S/c1-20(2)19-43-26-17-24(16-25(34)18-26)29-14-13-27(33(40)38-44(41,42)31-12-8-11-30(35)37-31)32(36-29)39-21(3)15-28(22(39)4)23-9-6-5-7-10-23/h5-14,16-18,20-22,28H,15,19H2,1-4H3,(H2,35,37)(H,38,40).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 617.75 g/mol, XLogP of 5.79, 9 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-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121250902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).