1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea

C21H21N3O2 — CID 156824740

IUPAC1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(Cc3cccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-20-10-6-17(7-11-20)15-23-21(25)24-19-8-4-16(5-9-19)13-18-3-2-12-22-14-18/h2-12,14H,13,15H2,1H3,(H2,23,24,25)
InChIKeyISBASUQLDLHEPD-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.00
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea

1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea (PubChem CID 156824740) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
PubChem CID156824740
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(Cc3cccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-20-10-6-17(7-11-20)15-23-21(25)24-19-8-4-16(5-9-19)13-18-3-2-12-22-14-18/h2-12,14H,13,15H2,1H3,(H2,23,24,25)
InChIKeyISBASUQLDLHEPD-UHFFFAOYSA-N
XLogP4.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66611293
1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
CID 156825214
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-(4-decoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 5217676
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
1-[4-[(4-methoxyphenyl)methylsulfanylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 142402036
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea (CID 156824740) is 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea is COc1ccc(CNC(=O)Nc2ccc(Cc3cccnc3)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea?
The InChIKey is ISBASUQLDLHEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-20-10-6-17(7-11-20)15-23-21(25)24-19-8-4-16(5-9-19)13-18-3-2-12-22-14-18/h2-12,14H,13,15H2,1H3,(H2,23,24,25).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea has a molecular weight of 347.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea is sourced from PubChem (CID 156824740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).