2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide

C24H23FN4O3 — CID 44552913

IUPAC2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C24H23FN4O3/c25-20-8-6-17(7-9-20)16-28-12-13-29(24(28)32)22-14-19(10-11-26-22)23(31)27-15-21(30)18-4-2-1-3-5-18/h1-11,14,21,30H,12-13,15-16H2,(H,27,31)/t21-/m0/s1
InChIKeyIMNKQJWXIFICKS-NRFANRHFSA-N
MW434.47 g/mol
LogP3.13
Rot. Bonds7

About 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide (PubChem CID 44552913) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide
PubChem CID44552913
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C24H23FN4O3/c25-20-8-6-17(7-9-20)16-28-12-13-29(24(28)32)22-14-19(10-11-26-22)23(31)27-15-21(30)18-4-2-1-3-5-18/h1-11,14,21,30H,12-13,15-16H2,(H,27,31)/t21-/m0/s1
InChIKeyIMNKQJWXIFICKS-NRFANRHFSA-N
XLogP3.13
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide (CID 44552913) is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide is O=C(NC[C@H](O)c1ccccc1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide?
The InChIKey is IMNKQJWXIFICKS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-20-8-6-17(7-9-20)16-28-12-13-29(24(28)32)22-14-19(10-11-26-22)23(31)27-15-21(30)18-4-2-1-3-5-18/h1-11,14,21,30H,12-13,15-16H2,(H,27,31)/t21-/m0/s1.
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide?
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 44552913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).