2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide

C₂₄H₂₇FN₄O₄S — CID 158814016

About 2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide

2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (PubChem CID 158814016) has the molecular formula C₂₄H₂₇FN₄O₄S and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
• PubChem CID: 158814016
• Molecular Formula: C₂₄H₂₇FN₄O₄S
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.17
• IUPAC Name: 2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
• SMILES: Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N(C)C)n1
• InChI: InChI=1S/C24H27FN4O4S/c1-15(2)14-33-19-12-17(11-18(25)13-19)21-10-9-20(23(27-21)29(4)5)24(30)28-34(31,32)22-8-6-7-16(3)26-22/h6-13,15H,14H2,1-5H3,(H,28,30)
• InChIKey: LUBUFIBRVDOFMJ-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?

The IUPAC name of 2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (CID 158814016) is 2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N(C)C)n1.

What is the InChIKey of 2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?

The InChIKey is LUBUFIBRVDOFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-15(2)14-33-19-12-17(11-18(25)13-19)21-10-9-20(23(27-21)29(4)5)24(30)28-34(31,32)22-8-6-7-16(3)26-22/h6-13,15H,14H2,1-5H3,(H,28,30).

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

2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 158814016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158814016 — identifiers, structure, computed properties (public domain)

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