N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

C23H18F3N5O5 — CID 59362393

About N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 59362393) has the molecular formula C23H18F3N5O5 and a molecular weight of 501.42 g/mol. Its IUPAC name is N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
• PubChem CID: 59362393
• Molecular Formula: C23H18F3N5O5
• Molecular Weight: 501.42 g/mol
• Exact Mass: 501.13
• IUPAC Name: N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
• SMILES: NC(=O)C(COc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
• InChI: InChI=1S/C23H18F3N5O5/c24-14-6-11(7-15(25)19(14)26)9-31-5-1-2-13(22(31)34)21(33)28-18(20(27)32)10-36-12-3-4-16-17(8-12)30-23(35)29-16/h1-8,18H,9-10H2,(H2,27,32)(H,28,33)(H2,29,30,35)
• InChIKey: QYJGNQXKJGOHOI-UHFFFAOYSA-N
• XLogP: 1.15
• TPSA: 152.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.42
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?

The IUPAC name of N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (CID 59362393) is N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?

The canonical SMILES for N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is NC(=O)C(COc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.

What is the InChIKey of N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?

The InChIKey is QYJGNQXKJGOHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O5/c24-14-6-11(7-15(25)19(14)26)9-31-5-1-2-13(22(31)34)21(33)28-18(20(27)32)10-36-12-3-4-16-17(8-12)30-23(35)29-16/h1-8,18H,9-10H2,(H2,27,32)(H,28,33)(H2,29,30,35).

What are the key properties of N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?

N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 501.42 g/mol, XLogP of 1.15, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-amino-1-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59362393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).