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

C28H28FN5O5S — CID 121252404

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121252404) has the molecular formula C28H28FN5O5S and a molecular weight of 565.63 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 121252404
• Molecular Formula: C28H28FN5O5S
• Molecular Weight: 565.63 g/mol
• Exact Mass: 565.18
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• SMILES: Cc1ccnc(C)c1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
• InChI: InChI=1S/C28H28FN5O5S/c1-16(2)15-38-21-13-19(12-20(29)14-21)23-9-8-22(28(32-23)39-26-17(3)10-11-31-18(26)4)27(35)34-40(36,37)25-7-5-6-24(30)33-25/h5-14,16H,15H2,1-4H3,(H2,30,33)(H,34,35)
• InChIKey: OEFSNWCIRQCQEZ-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 146.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.63
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121252404) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is Cc1ccnc(C)c1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.

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

The InChIKey is OEFSNWCIRQCQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O5S/c1-16(2)15-38-21-13-19(12-20(29)14-21)23-9-8-22(28(32-23)39-26-17(3)10-11-31-18(26)4)27(35)34-40(36,37)25-7-5-6-24(30)33-25/h5-14,16H,15H2,1-4H3,(H2,30,33)(H,34,35).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 565.63 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121252404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).