2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide

C30H37FN4O4S — CID 153427461

About 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide

2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (PubChem CID 153427461) has the molecular formula C30H37FN4O4S and a molecular weight of 568.72 g/mol. Its IUPAC name is 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
• PubChem CID: 153427461
• Molecular Formula: C30H37FN4O4S
• Molecular Weight: 568.72 g/mol
• Exact Mass: 568.25
• IUPAC Name: 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
• SMILES: CCC1(C)CC(C)CN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(C)n1
• InChI: InChI=1S/C30H37FN4O4S/c1-7-30(6)16-20(4)17-35(30)28-25(29(36)34-40(37,38)27-10-8-9-21(5)32-27)11-12-26(33-28)22-13-23(31)15-24(14-22)39-18-19(2)3/h8-15,19-20H,7,16-18H2,1-6H3,(H,34,36)
• InChIKey: LHMXZJYUDDYRHY-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.72
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?

The IUPAC name of 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (CID 153427461) is 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?

The canonical SMILES for 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is CCC1(C)CC(C)CN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(C)n1.

What is the InChIKey of 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?

The InChIKey is LHMXZJYUDDYRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O4S/c1-7-30(6)16-20(4)17-35(30)28-25(29(36)34-40(37,38)27-10-8-9-21(5)32-27)11-12-26(33-28)22-13-23(31)15-24(14-22)39-18-19(2)3/h8-15,19-20H,7,16-18H2,1-6H3,(H,34,36).

What are the key properties of 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?

2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide has a molecular weight of 568.72 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethyl-2,4-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 153427461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).