4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide

C26H23ClFN3O5 — CID 147980356

About 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide

4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide (PubChem CID 147980356) has the molecular formula C26H23ClFN3O5 and a molecular weight of 511.94 g/mol. Its IUPAC name is 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
• PubChem CID: 147980356
• Molecular Formula: C26H23ClFN3O5
• Molecular Weight: 511.94 g/mol
• Exact Mass: 511.13
• IUPAC Name: 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
• SMILES: COCCC(C(=O)Cc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
• InChI: InChI=1S/C26H23ClFN3O5/c1-35-8-7-22(23(32)10-15-3-6-18(26(30)34)21(28)9-15)31-14-24(36-2)20(12-25(31)33)19-11-17(27)5-4-16(19)13-29/h3-6,9,11-12,14,22H,7-8,10H2,1-2H3,(H2,30,34)
• InChIKey: ITCFBQQJWDVNNJ-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 124.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.94
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?

The IUPAC name of 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide (CID 147980356) is 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide.

What is the SMILES notation for 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?

The canonical SMILES for 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide is COCCC(C(=O)Cc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O.

What is the InChIKey of 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?

The InChIKey is ITCFBQQJWDVNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O5/c1-35-8-7-22(23(32)10-15-3-6-18(26(30)34)21(28)9-15)31-14-24(36-2)20(12-25(31)33)19-11-17(27)5-4-16(19)13-29/h3-6,9,11-12,14,22H,7-8,10H2,1-2H3,(H2,30,34).

What are the key properties of 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide?

4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide has a molecular weight of 511.94 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide is sourced from PubChem (CID 147980356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).