N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C24H26FN5O4S — CID 137054078

About N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 137054078) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 137054078
• Molecular Formula: C24H26FN5O4S
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.17
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2nc(-c3cccc(F)c3O)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1
• InChI: InChI=1S/C24H26FN5O4S/c1-14-12-24(2,3)30(13-14)22-16(9-10-18(28-22)15-6-4-7-17(25)20(15)31)23(32)29-35(33,34)19-8-5-11-27-21(19)26/h4-11,14,31H,12-13H2,1-3H3,(H2,26,27)(H,29,32)/t14-/m0/s1
• InChIKey: PZDVFEWYEKYJOV-AWEZNQCLSA-N
• XLogP: 3.31
• TPSA: 138.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 137054078) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(-c3cccc(F)c3O)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.

What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is PZDVFEWYEKYJOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-14-12-24(2,3)30(13-14)22-16(9-10-18(28-22)15-6-4-7-17(25)20(15)31)23(32)29-35(33,34)19-8-5-11-27-21(19)26/h4-11,14,31H,12-13H2,1-3H3,(H2,26,27)(H,29,32)/t14-/m0/s1.

What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 137054078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).