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

C25H22F2N4O4 — CID 59362652

IUPACN-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)[nH]c(=O)n2C1CC1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C25H22F2N4O4/c26-19-7-3-15(12-20(19)27)14-30-10-1-2-18(24(30)33)23(32)28-9-11-35-17-6-8-22-21(13-17)29-25(34)31(22)16-4-5-16/h1-3,6-8,10,12-13,16H,4-5,9,11,14H2,(H,28,32)(H,29,34)
InChIKeyXJEUXSVCLAQKNZ-UHFFFAOYSA-N
MW480.47 g/mol
LogP2.96
Rot. Bonds8

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

N-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 59362652) has the molecular formula C25H22F2N4O4 and a molecular weight of 480.47 g/mol. Its IUPAC name is N-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID59362652
Molecular FormulaC25H22F2N4O4
Molecular Weight480.47 g/mol
Exact Mass480.16
IUPAC NameN-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)[nH]c(=O)n2C1CC1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C25H22F2N4O4/c26-19-7-3-15(12-20(19)27)14-30-10-1-2-18(24(30)33)23(32)28-9-11-35-17-6-8-22-21(13-17)29-25(34)31(22)16-4-5-16/h1-3,6-8,10,12-13,16H,4-5,9,11,14H2,(H,28,32)(H,29,34)
InChIKeyXJEUXSVCLAQKNZ-UHFFFAOYSA-N
XLogP2.96
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 59362652) is N-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is O=C(NCCOc1ccc2c(c1)[nH]c(=O)n2C1CC1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of N-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is XJEUXSVCLAQKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O4/c26-19-7-3-15(12-20(19)27)14-30-10-1-2-18(24(30)33)23(32)28-9-11-35-17-6-8-22-21(13-17)29-25(34)31(22)16-4-5-16/h1-3,6-8,10,12-13,16H,4-5,9,11,14H2,(H,28,32)(H,29,34).
What are the key properties of N-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 480.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)oxy]ethyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59362652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).