1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea

C20H19N3O3 — CID 42691260

IUPAC1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C20H19N3O3/c1-14-3-8-18(9-4-14)26-19-12-7-16(13-21-19)23-20(24)22-15-5-10-17(25-2)11-6-15/h3-13H,1-2H3,(H2,22,23,24)
InChIKeyHKOHRODXMQATGI-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.83
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea

1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea (PubChem CID 42691260) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
PubChem CID42691260
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C20H19N3O3/c1-14-3-8-18(9-4-14)26-19-12-7-16(13-21-19)23-20(24)22-15-5-10-17(25-2)11-6-15/h3-13H,1-2H3,(H2,22,23,24)
InChIKeyHKOHRODXMQATGI-UHFFFAOYSA-N
XLogP4.83
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823
1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 58930976
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
1,3-bis(4-methoxyphenyl)urea
CID 139045428
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076375
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
1-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119893826
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893837
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-4-methoxybenzamide
CID 42691206

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea (CID 42691260) is 1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea is COc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea?
The InChIKey is HKOHRODXMQATGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-3-8-18(9-4-14)26-19-12-7-16(13-21-19)23-20(24)22-15-5-10-17(25-2)11-6-15/h3-13H,1-2H3,(H2,22,23,24).
What are the key properties of 1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea?
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea has a molecular weight of 349.39 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea is sourced from PubChem (CID 42691260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).