6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide

C24H24FN5O3 — CID 56943523

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(CNCCN2CCNC2=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H24FN5O3/c25-18-3-7-20(8-4-18)33-19-5-1-17(2-6-19)21-13-16(14-22(29-21)23(26)31)15-27-9-11-30-12-10-28-24(30)32/h1-8,13-14,27H,9-12,15H2,(H2,26,31)(H,28,32)
InChIKeyUDRWJJGICBYWJP-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.89
Rot. Bonds9

About 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide (PubChem CID 56943523) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide
PubChem CID56943523
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(CNCCN2CCNC2=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H24FN5O3/c25-18-3-7-20(8-4-18)33-19-5-1-17(2-6-19)21-13-16(14-22(29-21)23(26)31)15-27-9-11-30-12-10-28-24(30)32/h1-8,13-14,27H,9-12,15H2,(H2,26,31)(H,28,32)
InChIKeyUDRWJJGICBYWJP-UHFFFAOYSA-N
XLogP2.89
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide (CID 56943523) is 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide is NC(=O)c1cc(CNCCN2CCNC2=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide?
The InChIKey is UDRWJJGICBYWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c25-18-3-7-20(8-4-18)33-19-5-1-17(2-6-19)21-13-16(14-22(29-21)23(26)31)15-27-9-11-30-12-10-28-24(30)32/h1-8,13-14,27H,9-12,15H2,(H2,26,31)(H,28,32).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 56943523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).