N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C33H29FN4O5S — CID 121250632

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121250632) has the molecular formula C33H29FN4O5S and a molecular weight of 612.68 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 121250632
• Molecular Formula: C33H29FN4O5S
• Molecular Weight: 612.68 g/mol
• Exact Mass: 612.18
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(-c3ccc(OCc4ccccc4)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
• InChI: InChI=1S/C33H29FN4O5S/c1-20-16-21(2)31(22(3)17-20)43-33-26(32(39)38-44(40,41)30-11-7-10-29(35)37-30)14-15-28(36-33)25-13-12-24(18-27(25)34)42-19-23-8-5-4-6-9-23/h4-18H,19H2,1-3H3,(H2,35,37)(H,38,39)
• InChIKey: UVLHITKUHWEALX-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.68
LogP ≤ 5	6.28
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-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121250632) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3ccc(OCc4ccccc4)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The InChIKey is UVLHITKUHWEALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN4O5S/c1-20-16-21(2)31(22(3)17-20)43-33-26(32(39)38-44(40,41)30-11-7-10-29(35)37-30)14-15-28(36-33)25-13-12-24(18-27(25)34)42-19-23-8-5-4-6-9-23/h4-18H,19H2,1-3H3,(H2,35,37)(H,38,39).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 612.68 g/mol, XLogP of 6.28, 9 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-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121250632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).