5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

C25H23ClFN5O5 — CID 121245974

About 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 121245974) has the molecular formula C25H23ClFN5O5 and a molecular weight of 527.94 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
• PubChem CID: 121245974
• Molecular Formula: C25H23ClFN5O5
• Molecular Weight: 527.94 g/mol
• Exact Mass: 527.14
• IUPAC Name: 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)c(F)cc3C#N)cc2=O)cn1
• InChI: InChI=1S/C25H23ClFN5O5/c1-29-24(34)20-5-4-15(12-30-20)31-25(35)21(6-7-36-2)32-13-22(37-3)17(10-23(32)33)16-9-18(26)19(27)8-14(16)11-28/h4-5,8-10,12-13,21H,6-7H2,1-3H3,(H,29,34)(H,31,35)
• InChIKey: WIUQEVGEUDUYAE-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 135.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.94
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (CID 121245974) is 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)c(F)cc3C#N)cc2=O)cn1.

What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

The InChIKey is WIUQEVGEUDUYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O5/c1-29-24(34)20-5-4-15(12-30-20)31-25(35)21(6-7-36-2)32-13-22(37-3)17(10-23(32)33)16-9-18(26)19(27)8-14(16)11-28/h4-5,8-10,12-13,21H,6-7H2,1-3H3,(H,29,34)(H,31,35).

What are the key properties of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 527.94 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 121245974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).