1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea

C26H30N4O3 — CID 55921755

IUPAC1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)NC2CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C26H30N4O3/c1-2-32-23-10-6-7-11-24(23)33-25-13-12-21(16-27-25)17-28-26(31)29-22-14-15-30(19-22)18-20-8-4-3-5-9-20/h3-13,16,22H,2,14-15,17-19H2,1H3,(H2,28,29,31)
InChIKeySUOKIDBRUHKLAR-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.35
Rot. Bonds9

About 1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea

1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea (PubChem CID 55921755) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
PubChem CID55921755
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)NC2CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C26H30N4O3/c1-2-32-23-10-6-7-11-24(23)33-25-13-12-21(16-27-25)17-28-26(31)29-22-14-15-30(19-22)18-20-8-4-3-5-9-20/h3-13,16,22H,2,14-15,17-19H2,1H3,(H2,28,29,31)
InChIKeySUOKIDBRUHKLAR-UHFFFAOYSA-N
XLogP4.35
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 95107286
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 47066580
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 55821483
1-benzyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110952298
3-[[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 146137624
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 55929980
4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 55929808
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47065602
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 94160787
4-ethoxy-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960132

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea (CID 55921755) is 1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea is CCOc1ccccc1Oc1ccc(CNC(=O)NC2CCN(Cc3ccccc3)C2)cn1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea?
The InChIKey is SUOKIDBRUHKLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-2-32-23-10-6-7-11-24(23)33-25-13-12-21(16-27-25)17-28-26(31)29-22-14-15-30(19-22)18-20-8-4-3-5-9-20/h3-13,16,22H,2,14-15,17-19H2,1H3,(H2,28,29,31).
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea?
1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea has a molecular weight of 446.55 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 55921755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).