N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide

C30H31FN4O5S — CID 121250692

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide (PubChem CID 121250692) has the molecular formula C30H31FN4O5S and a molecular weight of 578.67 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide
• PubChem CID: 121250692
• Molecular Formula: C30H31FN4O5S
• Molecular Weight: 578.67 g/mol
• Exact Mass: 578.20
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide
• SMILES: Cc1cc(C)c(Oc2cc(-c3cc(F)cc(OCC(C)C)c3)cnc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
• InChI: InChI=1S/C30H31FN4O5S/c1-17(2)16-39-24-12-21(11-23(31)14-24)22-13-25(40-29-19(4)9-18(3)10-20(29)5)28(33-15-22)30(36)35-41(37,38)27-8-6-7-26(32)34-27/h6-15,17H,16H2,1-5H3,(H2,32,34)(H,35,36)
• InChIKey: XLZZRMRQYJENHP-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.67
LogP ≤ 5	5.74
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]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide (CID 121250692) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide is Cc1cc(C)c(Oc2cc(-c3cc(F)cc(OCC(C)C)c3)cnc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide?

The InChIKey is XLZZRMRQYJENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O5S/c1-17(2)16-39-24-12-21(11-23(31)14-24)22-13-25(40-29-19(4)9-18(3)10-20(29)5)28(33-15-22)30(36)35-41(37,38)27-8-6-7-26(32)34-27/h6-15,17H,16H2,1-5H3,(H2,32,34)(H,35,36).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide has a molecular weight of 578.67 g/mol, XLogP of 5.74, 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]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(2,4,6-trimethylphenoxy)pyridine-2-carboxamide is sourced from PubChem (CID 121250692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).