N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen

C27H36FN5O4S — CID 160799682

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 160799682) has the molecular formula C27H36FN5O4S and a molecular weight of 545.68 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 160799682
• Molecular Formula: C27H36FN5O4S
• Molecular Weight: 545.68 g/mol
• Exact Mass: 545.25
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen
• SMILES: CC1CN(c2nc(-c3cc(F)cc(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.[H][H].[H][H]
• InChI: InChI=1S/C27H32FN5O4S.2H2/c1-16(2)37-20-12-18(11-19(28)13-20)22-10-9-21(25(30-22)33-15-17(3)14-27(33,4)5)26(34)32-38(35,36)24-8-6-7-23(29)31-24;;/h6-13,16-17H,14-15H2,1-5H3,(H2,29,31)(H,32,34);2*1H
• InChIKey: SCXFZKOHKFFEPF-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.68
LogP ≤ 5	4.89
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-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen (CID 160799682) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen is CC1CN(c2nc(-c3cc(F)cc(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.[H][H].[H][H].

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is SCXFZKOHKFFEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O4S.2H2/c1-16(2)37-20-12-18(11-19(28)13-20)22-10-9-21(25(30-22)33-15-17(3)14-27(33,4)5)26(34)32-38(35,36)24-8-6-7-23(29)31-24;;/h6-13,16-17H,14-15H2,1-5H3,(H2,29,31)(H,32,34);2*1H.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 545.68 g/mol, XLogP of 4.89, 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-fluoro-5-propan-2-yloxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 160799682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).