N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide

C26H33F2N3O5 — CID 139374805

About N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide (PubChem CID 139374805) has the molecular formula C26H33F2N3O5 and a molecular weight of 505.56 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide
• PubChem CID: 139374805
• Molecular Formula: C26H33F2N3O5
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.24
• IUPAC Name: N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide
• SMILES: CCOC1CCC(Cn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C=O)(N(C)CC)CC1
• InChI: InChI=1S/C26H33F2N3O5/c1-4-30(3)26(10-8-19(9-11-26)36-5-2)16-31-14-20(23(33)24(34)22(31)15-32)25(35)29-13-17-6-7-18(27)12-21(17)28/h6-7,12,14-15,19,34H,4-5,8-11,13,16H2,1-3H3,(H,29,35)
• InChIKey: HFGGOHQYCJWGSE-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 100.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide?

The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide (CID 139374805) is N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide?

The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide is CCOC1CCC(Cn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C=O)(N(C)CC)CC1.

What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide?

The InChIKey is HFGGOHQYCJWGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N3O5/c1-4-30(3)26(10-8-19(9-11-26)36-5-2)16-31-14-20(23(33)24(34)22(31)15-32)25(35)29-13-17-6-7-18(27)12-21(17)28/h6-7,12,14-15,19,34H,4-5,8-11,13,16H2,1-3H3,(H,29,35).

What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide?

N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide has a molecular weight of 505.56 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-difluorophenyl)methyl]-1-[[4-ethoxy-1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 139374805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).