3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide

C25H23FN6O4 — CID 59822887

IUPAC3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide
SMILESC=CCNC(=O)Nc1ccc(Oc2cccc(NC(=O)N3CCN(c4ccc(F)cc4)C3=O)c2)cn1
InChIInChI=1S/C25H23FN6O4/c1-2-12-27-23(33)30-22-11-10-21(16-28-22)36-20-5-3-4-18(15-20)29-24(34)32-14-13-31(25(32)35)19-8-6-17(26)7-9-19/h2-11,15-16H,1,12-14H2,(H,29,34)(H2,27,28,30,33)
InChIKeyINIFHGBIJAJBTF-UHFFFAOYSA-N
MW490.50 g/mol
LogP4.79
Rot. Bonds7

About 3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide

3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide (PubChem CID 59822887) has the molecular formula C25H23FN6O4 and a molecular weight of 490.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide
PubChem CID59822887
Molecular FormulaC25H23FN6O4
Molecular Weight490.50 g/mol
Exact Mass490.18
IUPAC Name3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide
SMILESC=CCNC(=O)Nc1ccc(Oc2cccc(NC(=O)N3CCN(c4ccc(F)cc4)C3=O)c2)cn1
InChIInChI=1S/C25H23FN6O4/c1-2-12-27-23(33)30-22-11-10-21(16-28-22)36-20-5-3-4-18(15-20)29-24(34)32-14-13-31(25(32)35)19-8-6-17(26)7-9-19/h2-11,15-16H,1,12-14H2,(H,29,34)(H2,27,28,30,33)
InChIKeyINIFHGBIJAJBTF-UHFFFAOYSA-N
XLogP4.79
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
CID 45483392
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
CID 58158620
1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea
CID 108887387
1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea
CID 42878418
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 139521826
N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide
CID 23072181
2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023879
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
CID 4998458
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521777
5-(4-fluorophenoxy)-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 59588900
1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
CID 140514499

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide (CID 59822887) is 3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide is C=CCNC(=O)Nc1ccc(Oc2cccc(NC(=O)N3CCN(c4ccc(F)cc4)C3=O)c2)cn1.
What is the InChIKey of 3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide?
The InChIKey is INIFHGBIJAJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O4/c1-2-12-27-23(33)30-22-11-10-21(16-28-22)36-20-5-3-4-18(15-20)29-24(34)32-14-13-31(25(32)35)19-8-6-17(26)7-9-19/h2-11,15-16H,1,12-14H2,(H,29,34)(H2,27,28,30,33).
What are the key properties of 3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide?
3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide has a molecular weight of 490.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-oxo-N-[3-[[6-(prop-2-enylcarbamoylamino)-3-pyridinyl]oxy]phenyl]imidazolidine-1-carboxamide is sourced from PubChem (CID 59822887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).