N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide

C24H24FN5O3 — CID 66961873

IUPACN-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(c2ccc(F)cc2)C(O)(c2cccnc2)c2cccnc2)C1=O
InChIInChI=1S/C24H24FN5O3/c1-2-28-22(31)30-14-13-29(23(30)32)21(17-7-9-20(25)10-8-17)24(33,18-5-3-11-26-15-18)19-6-4-12-27-16-19/h3-12,15-16,21,33H,2,13-14H2,1H3,(H,28,31)
InChIKeyQXCOCRYTQMXVEO-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.06
Rot. Bonds6

About N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide

N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 66961873) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID66961873
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(c2ccc(F)cc2)C(O)(c2cccnc2)c2cccnc2)C1=O
InChIInChI=1S/C24H24FN5O3/c1-2-28-22(31)30-14-13-29(23(30)32)21(17-7-9-20(25)10-8-17)24(33,18-5-3-11-26-15-18)19-6-4-12-27-16-19/h3-12,15-16,21,33H,2,13-14H2,1H3,(H,28,31)
InChIKeyQXCOCRYTQMXVEO-UHFFFAOYSA-N
XLogP3.06
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide (CID 66961873) is N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide is CCNC(=O)N1CCN(C(c2ccc(F)cc2)C(O)(c2cccnc2)c2cccnc2)C1=O.
What is the InChIKey of N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is QXCOCRYTQMXVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-2-28-22(31)30-14-13-29(23(30)32)21(17-7-9-20(25)10-8-17)24(33,18-5-3-11-26-15-18)19-6-4-12-27-16-19/h3-12,15-16,21,33H,2,13-14H2,1H3,(H,28,31).
What are the key properties of N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide?
N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 66961873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).