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

C₃₀H₃₈FN₅O₄S — CID 121251950

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251950) has the molecular formula C₃₀H₃₈FN₅O₄S and a molecular weight of 583.73 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121251950
• Molecular Formula: C₃₀H₃₈FN₅O₄S
• Molecular Weight: 583.73 g/mol
• Exact Mass: 583.26
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CCC(C)(C)C1CCCN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
• InChI: InChI=1S/C30H38FN5O4S/c1-6-30(4,5)25-9-8-14-36(25)28-23(29(37)35-41(38,39)27-11-7-10-26(32)34-27)12-13-24(33-28)20-15-21(31)17-22(16-20)40-18-19(2)3/h7,10-13,15-17,19,25H,6,8-9,14,18H2,1-5H3,(H2,32,34)(H,35,37)
• InChIKey: CHEFUDSOFLRLHE-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.73
LogP ≤ 5	5.42
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-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251950) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide is CCC(C)(C)C1CCCN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.

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

The InChIKey is CHEFUDSOFLRLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN5O4S/c1-6-30(4,5)25-9-8-14-36(25)28-23(29(37)35-41(38,39)27-11-7-10-26(32)34-27)12-13-24(33-28)20-15-21(31)17-22(16-20)40-18-19(2)3/h7,10-13,15-17,19,25H,6,8-9,14,18H2,1-5H3,(H2,32,34)(H,35,37).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 583.73 g/mol, XLogP of 5.42, 10 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-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121251950 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.