N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C28H29N5O4S — CID 121251867

About N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251867) has the molecular formula C28H29N5O4S and a molecular weight of 531.64 g/mol. Its IUPAC name is N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 121251867
• Molecular Formula: C28H29N5O4S
• Molecular Weight: 531.64 g/mol
• Exact Mass: 531.19
• IUPAC Name: N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(-c3ccccc3)ccc2C(=O)NS(=O)(=O)c2cccc(NCCN)n2)c(C)c1
• InChI: InChI=1S/C28H29N5O4S/c1-18-16-19(2)26(20(3)17-18)37-28-22(12-13-23(31-28)21-8-5-4-6-9-21)27(34)33-38(35,36)25-11-7-10-24(32-25)30-15-14-29/h4-13,16-17H,14-15,29H2,1-3H3,(H,30,32)(H,33,34)
• InChIKey: KQLVGYNRHOLJHR-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 136.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.64
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251867) is N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

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

The canonical SMILES for N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3ccccc3)ccc2C(=O)NS(=O)(=O)c2cccc(NCCN)n2)c(C)c1.

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

The InChIKey is KQLVGYNRHOLJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4S/c1-18-16-19(2)26(20(3)17-18)37-28-22(12-13-23(31-28)21-8-5-4-6-9-21)27(34)33-38(35,36)25-11-7-10-24(32-25)30-15-14-29/h4-13,16-17H,14-15,29H2,1-3H3,(H,30,32)(H,33,34).

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

N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 531.64 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).