1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide

C23H20F2N4O4 — CID 59362447

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)[nH]c2cc(OCCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)ccc21
InChIInChI=1S/C23H20F2N4O4/c1-28-20-7-5-15(12-19(20)27-23(28)32)33-10-8-26-21(30)16-3-2-9-29(22(16)31)13-14-4-6-17(24)18(25)11-14/h2-7,9,11-12H,8,10,13H2,1H3,(H,26,30)(H,27,32)
InChIKeyPVCNVBXKQUJQOP-UHFFFAOYSA-N
MW454.43 g/mol
LogP2.16
Rot. Bonds7

About 1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 59362447) has the molecular formula C23H20F2N4O4 and a molecular weight of 454.43 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide
PubChem CID59362447
Molecular FormulaC23H20F2N4O4
Molecular Weight454.43 g/mol
Exact Mass454.15
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)[nH]c2cc(OCCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)ccc21
InChIInChI=1S/C23H20F2N4O4/c1-28-20-7-5-15(12-19(20)27-23(28)32)33-10-8-26-21(30)16-3-2-9-29(22(16)31)13-14-4-6-17(24)18(25)11-14/h2-7,9,11-12H,8,10,13H2,1H3,(H,26,30)(H,27,32)
InChIKeyPVCNVBXKQUJQOP-UHFFFAOYSA-N
XLogP2.16
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide (CID 59362447) is 1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide is Cn1c(=O)[nH]c2cc(OCCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)ccc21.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is PVCNVBXKQUJQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O4/c1-28-20-7-5-15(12-19(20)27-23(28)32)33-10-8-26-21(30)16-3-2-9-29(22(16)31)13-14-4-6-17(24)18(25)11-14/h2-7,9,11-12H,8,10,13H2,1H3,(H,26,30)(H,27,32).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 454.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59362447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).