N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C27H28N4O4S — CID 121252118

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121252118) has the molecular formula C27H28N4O4S and a molecular weight of 504.61 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 121252118
• Molecular Formula: C27H28N4O4S
• Molecular Weight: 504.61 g/mol
• Exact Mass: 504.18
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(C3=CC4CCC3C4)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
• InChI: InChI=1S/C27H28N4O4S/c1-15-11-16(2)25(17(3)12-15)35-27-20(9-10-22(29-27)21-14-18-7-8-19(21)13-18)26(32)31-36(33,34)24-6-4-5-23(28)30-24/h4-6,9-12,14,18-19H,7-8,13H2,1-3H3,(H2,28,30)(H,31,32)
• InChIKey: AQJFUQJDBXDTBW-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.61
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121252118) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(C3=CC4CCC3C4)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The InChIKey is AQJFUQJDBXDTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4S/c1-15-11-16(2)25(17(3)12-15)35-27-20(9-10-22(29-27)21-14-18-7-8-19(21)13-18)26(32)31-36(33,34)24-6-4-5-23(28)30-24/h4-6,9-12,14,18-19H,7-8,13H2,1-3H3,(H2,28,30)(H,31,32).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 504.61 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121252118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).