[4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea

C22H25N3O4 — CID 150756483

IUPAC[4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea
SMILESCCOc1cc(C2=NC(Cc3ccc(NC(N)=O)cc3)C(=O)CC2)ccc1OC
InChIInChI=1S/C22H25N3O4/c1-3-29-21-13-15(6-11-20(21)28-2)17-9-10-19(26)18(25-17)12-14-4-7-16(8-5-14)24-22(23)27/h4-8,11,13,18H,3,9-10,12H2,1-2H3,(H3,23,24,27)
InChIKeyJWYJVISQDHRZDJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.35
Rot. Bonds7

About [4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea

[4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea (PubChem CID 150756483) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is [4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea.

Molecular Properties

Compound Name[4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea
PubChem CID150756483
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name[4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea
SMILESCCOc1cc(C2=NC(Cc3ccc(NC(N)=O)cc3)C(=O)CC2)ccc1OC
InChIInChI=1S/C22H25N3O4/c1-3-29-21-13-15(6-11-20(21)28-2)17-9-10-19(26)18(25-17)12-14-4-7-16(8-5-14)24-22(23)27/h4-8,11,13,18H,3,9-10,12H2,1-2H3,(H3,23,24,27)
InChIKeyJWYJVISQDHRZDJ-UHFFFAOYSA-N
XLogP3.35
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea with MolForge

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Related Compounds

[4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]methyl]phenyl]urea
CID 91592016
N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623542
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599
N-[4-[[3-(3,4-dimethoxyphenyl)-2-ethyl-6-oxo-2,5-dihydro-1H-pyrazin-5-yl]methyl]phenyl]-2,2-dimethylpropanamide
CID 10114926
N-[4-[[5-(3-ethoxy-4-methoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]acetamide
CID 19357893
N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]methanesulfonamide
CID 18623473
N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]propanamide
CID 18623390
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
(E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 55620260
4-[(3-ethoxy-4-methoxyphenyl)methylcarbamothioylamino]-N,N-dimethylbenzamide
CID 100748271
(3,4-dimethoxyphenyl)urea
CID 21197430
azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)
CID 142838514

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea?
The IUPAC name of [4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea (CID 150756483) is [4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea.
What is the SMILES notation for [4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea?
The canonical SMILES for [4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea is CCOc1cc(C2=NC(Cc3ccc(NC(N)=O)cc3)C(=O)CC2)ccc1OC.
What is the InChIKey of [4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea?
The InChIKey is JWYJVISQDHRZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-29-21-13-15(6-11-20(21)28-2)17-9-10-19(26)18(25-17)12-14-4-7-16(8-5-14)24-22(23)27/h4-8,11,13,18H,3,9-10,12H2,1-2H3,(H3,23,24,27).
What are the key properties of [4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea?
[4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea has a molecular weight of 395.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea is sourced from PubChem (CID 150756483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).