3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide

C23H21FN6O4 — CID 71463508

IUPAC3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide
SMILESCNC(=O)Nc1cc(Oc2ccc(NC(=O)N3CCN(c4ccc(F)cc4)C3=O)cc2)ccn1
InChIInChI=1S/C23H21FN6O4/c1-25-21(31)28-20-14-19(10-11-26-20)34-18-8-4-16(5-9-18)27-22(32)30-13-12-29(23(30)33)17-6-2-15(24)3-7-17/h2-11,14H,12-13H2,1H3,(H,27,32)(H2,25,26,28,31)
InChIKeyFEKPMSYVBDZYAK-UHFFFAOYSA-N
MW464.46 g/mol
LogP4.24
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide

3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 71463508) has the molecular formula C23H21FN6O4 and a molecular weight of 464.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID71463508
Molecular FormulaC23H21FN6O4
Molecular Weight464.46 g/mol
Exact Mass464.16
IUPAC Name3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide
SMILESCNC(=O)Nc1cc(Oc2ccc(NC(=O)N3CCN(c4ccc(F)cc4)C3=O)cc2)ccn1
InChIInChI=1S/C23H21FN6O4/c1-25-21(31)28-20-14-19(10-11-26-20)34-18-8-4-16(5-9-18)27-22(32)30-13-12-29(23(30)33)17-6-2-15(24)3-7-17/h2-11,14H,12-13H2,1H3,(H,27,32)(H2,25,26,28,31)
InChIKeyFEKPMSYVBDZYAK-UHFFFAOYSA-N
XLogP4.24
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide (CID 71463508) is 3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide is CNC(=O)Nc1cc(Oc2ccc(NC(=O)N3CCN(c4ccc(F)cc4)C3=O)cc2)ccn1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is FEKPMSYVBDZYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O4/c1-25-21(31)28-20-14-19(10-11-26-20)34-18-8-4-16(5-9-18)27-22(32)30-13-12-29(23(30)33)17-6-2-15(24)3-7-17/h2-11,14H,12-13H2,1H3,(H,27,32)(H2,25,26,28,31).
What are the key properties of 3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide?
3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 464.46 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoylamino)-4-pyridinyl]oxy]phenyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 71463508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).