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

C29H30N4O5S — CID 121252540

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121252540) has the molecular formula C29H30N4O5S and a molecular weight of 546.65 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 121252540
• Molecular Formula: C29H30N4O5S
• Molecular Weight: 546.65 g/mol
• Exact Mass: 546.19
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(-c3ccc(OC(C)C)cc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
• InChI: InChI=1S/C29H30N4O5S/c1-17(2)37-22-11-9-21(10-12-22)24-14-13-23(28(34)33-39(35,36)26-8-6-7-25(30)32-26)29(31-24)38-27-19(4)15-18(3)16-20(27)5/h6-17H,1-5H3,(H2,30,32)(H,33,34)
• InChIKey: KJJAWEJHXDUGFS-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.65
LogP ≤ 5	5.35
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-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121252540) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3ccc(OC(C)C)cc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.

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

The InChIKey is KJJAWEJHXDUGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O5S/c1-17(2)37-22-11-9-21(10-12-22)24-14-13-23(28(34)33-39(35,36)26-8-6-7-25(30)32-26)29(31-24)38-27-19(4)15-18(3)16-20(27)5/h6-17H,1-5H3,(H2,30,32)(H,33,34).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 546.65 g/mol, XLogP of 5.35, 8 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-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121252540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).