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

C25H21F3N4O4 — CID 59362685

IUPACN-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(COc1ccc2[nH]c(=O)[nH]c2c1)C1CC1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C25H21F3N4O4/c26-17-8-13(9-18(27)22(17)28)11-32-7-1-2-16(24(32)34)23(33)29-21(14-3-4-14)12-36-15-5-6-19-20(10-15)31-25(35)30-19/h1-2,5-10,14,21H,3-4,11-12H2,(H,29,33)(H2,30,31,35)
InChIKeyAZSZKTZXXQTVSS-UHFFFAOYSA-N
MW498.46 g/mol
LogP3.07
Rot. Bonds8

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

N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 59362685) has the molecular formula C25H21F3N4O4 and a molecular weight of 498.46 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID59362685
Molecular FormulaC25H21F3N4O4
Molecular Weight498.46 g/mol
Exact Mass498.15
IUPAC NameN-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(COc1ccc2[nH]c(=O)[nH]c2c1)C1CC1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C25H21F3N4O4/c26-17-8-13(9-18(27)22(17)28)11-32-7-1-2-16(24(32)34)23(33)29-21(14-3-4-14)12-36-15-5-6-19-20(10-15)31-25(35)30-19/h1-2,5-10,14,21H,3-4,11-12H2,(H,29,33)(H2,30,31,35)
InChIKeyAZSZKTZXXQTVSS-UHFFFAOYSA-N
XLogP3.07
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.46
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (CID 59362685) is N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is O=C(NC(COc1ccc2[nH]c(=O)[nH]c2c1)C1CC1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.
What is the InChIKey of N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is AZSZKTZXXQTVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O4/c26-17-8-13(9-18(27)22(17)28)11-32-7-1-2-16(24(32)34)23(33)29-21(14-3-4-14)12-36-15-5-6-19-20(10-15)31-25(35)30-19/h1-2,5-10,14,21H,3-4,11-12H2,(H,29,33)(H2,30,31,35).
What are the key properties of N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 498.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59362685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).