1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea

C21H21N3O2 — CID 156825214

IUPAC1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(OCc3cccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-4-6-17(7-5-16)14-23-21(25)24-19-8-10-20(11-9-19)26-15-18-3-2-12-22-13-18/h2-13H,14-15H2,1H3,(H2,23,24,25)
InChIKeyPAWQBGNKECITHM-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.29
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea

1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea (PubChem CID 156825214) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
PubChem CID156825214
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(OCc3cccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-4-6-17(7-5-16)14-23-21(25)24-19-8-10-20(11-9-19)26-15-18-3-2-12-22-13-18/h2-13H,14-15H2,1H3,(H2,23,24,25)
InChIKeyPAWQBGNKECITHM-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
CID 156824740
1-(4-decoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 5217676
1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol
CID 170159287
1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea
CID 108892981
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
5-(methoxymethyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78876213
3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46456498

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea (CID 156825214) is 1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea is Cc1ccc(CNC(=O)Nc2ccc(OCc3cccnc3)cc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea?
The InChIKey is PAWQBGNKECITHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-4-6-17(7-5-16)14-23-21(25)24-19-8-10-20(11-9-19)26-15-18-3-2-12-22-13-18/h2-13H,14-15H2,1H3,(H2,23,24,25).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea?
1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea has a molecular weight of 347.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea is sourced from PubChem (CID 156825214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).