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

C24H21ClFN5O5 — CID 121245982

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

5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (PubChem CID 121245982) has the molecular formula C24H21ClFN5O5 and a molecular weight of 513.91 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
• PubChem CID: 121245982
• Molecular Formula: C24H21ClFN5O5
• Molecular Weight: 513.91 g/mol
• Exact Mass: 513.12
• IUPAC Name: 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
• SMILES: COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)c(F)cc2C#N)cc1=O
• InChI: InChI=1S/C24H21ClFN5O5/c1-35-6-5-20(24(34)30-14-3-4-19(23(28)33)29-11-14)31-12-21(36-2)16(9-22(31)32)15-8-17(25)18(26)7-13(15)10-27/h3-4,7-9,11-12,20H,5-6H2,1-2H3,(H2,28,33)(H,30,34)
• InChIKey: QNFCYSGUPGPZFB-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 149.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.91
LogP ≤ 5	2.90
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]pyridine-2-carboxamide?

The IUPAC name of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (CID 121245982) is 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-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]pyridine-2-carboxamide?

The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)c(F)cc2C#N)cc1=O.

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

The InChIKey is QNFCYSGUPGPZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O5/c1-35-6-5-20(24(34)30-14-3-4-19(23(28)33)29-11-14)31-12-21(36-2)16(9-22(31)32)15-8-17(25)18(26)7-13(15)10-27/h3-4,7-9,11-12,20H,5-6H2,1-2H3,(H2,28,33)(H,30,34).

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

5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide has a molecular weight of 513.91 g/mol, XLogP of 2.90, 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]pyridine-2-carboxamide is sourced from PubChem (CID 121245982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).