N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C28H32F3N5O4S — CID 175514741

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514741) has the molecular formula C28H32F3N5O4S and a molecular weight of 591.66 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175514741
• Molecular Formula: C28H32F3N5O4S
• Molecular Weight: 591.66 g/mol
• Exact Mass: 591.21
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)Oc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C28H32F3N5O4S/c1-16(2)40-20-14-18(13-19(15-20)28(29,30)31)22-10-9-21(25(33-22)36-12-11-17(3)27(36,4)5)26(37)35-41(38,39)24-8-6-7-23(32)34-24/h6-10,13-17H,11-12H2,1-5H3,(H2,32,34)(H,35,37)
• InChIKey: OJNLCPORMFBWOV-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.66
LogP ≤ 5	5.28
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-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514741) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)Oc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)cc(C(F)(F)F)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is OJNLCPORMFBWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O4S/c1-16(2)40-20-14-18(13-19(15-20)28(29,30)31)22-10-9-21(25(33-22)36-12-11-17(3)27(36,4)5)26(37)35-41(38,39)24-8-6-7-23(32)34-24/h6-10,13-17H,11-12H2,1-5H3,(H2,32,34)(H,35,37).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 591.66 g/mol, XLogP of 5.28, 7 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-propan-2-yloxy-5-(trifluoromethyl)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).