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

C30H30FN5O5S — CID 121251063

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251063) has the molecular formula C30H30FN5O5S and a molecular weight of 591.67 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 121251063
• Molecular Formula: C30H30FN5O5S
• Molecular Weight: 591.67 g/mol
• Exact Mass: 591.20
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(-c3ccc(C(=O)NC(C)C)c(F)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
• InChI: InChI=1S/C30H30FN5O5S/c1-16(2)33-28(37)21-10-9-20(15-23(21)31)24-12-11-22(29(38)36-42(39,40)26-8-6-7-25(32)35-26)30(34-24)41-27-18(4)13-17(3)14-19(27)5/h6-16H,1-5H3,(H2,32,35)(H,33,37)(H,36,38)
• InChIKey: VAROYHVVBROXGS-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 153.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.67
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251063) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3ccc(C(=O)NC(C)C)c(F)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.

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

The InChIKey is VAROYHVVBROXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5O5S/c1-16(2)33-28(37)21-10-9-20(15-23(21)31)24-12-11-22(29(38)36-42(39,40)26-8-6-7-25(32)35-26)30(34-24)41-27-18(4)13-17(3)14-19(27)5/h6-16H,1-5H3,(H2,32,35)(H,33,37)(H,36,38).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 591.67 g/mol, XLogP of 4.84, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).