1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea

C20H20N4O3 — CID 55821483

IUPAC1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccccn2)cn1
InChIInChI=1S/C20H20N4O3/c1-2-26-16-7-3-4-8-17(16)27-19-11-10-15(13-22-19)14-23-20(25)24-18-9-5-6-12-21-18/h3-13H,2,14H2,1H3,(H2,21,23,24,25)
InChIKeyQOVUJVPOHWPIBN-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.99
Rot. Bonds7

About 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea

1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea (PubChem CID 55821483) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
PubChem CID55821483
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccccn2)cn1
InChIInChI=1S/C20H20N4O3/c1-2-26-16-7-3-4-8-17(16)27-19-11-10-15(13-22-19)14-23-20(25)24-18-9-5-6-12-21-18/h3-13H,2,14H2,1H3,(H2,21,23,24,25)
InChIKeyQOVUJVPOHWPIBN-UHFFFAOYSA-N
XLogP3.99
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47065602
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 87006586
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 55929980
1-benzyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110952298
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
CID 55929979
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 86882869
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 47066017
1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
CID 55921755
1-butyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111152170
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 47066580
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207122

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea (CID 55821483) is 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea is CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccccn2)cn1.
What is the InChIKey of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea?
The InChIKey is QOVUJVPOHWPIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-26-16-7-3-4-8-17(16)27-19-11-10-15(13-22-19)14-23-20(25)24-18-9-5-6-12-21-18/h3-13H,2,14H2,1H3,(H2,21,23,24,25).
What are the key properties of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea?
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea has a molecular weight of 364.41 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 55821483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).