1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea

C19H17N3O3 — CID 44565732

IUPAC1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1
InChIInChI=1S/C19H17N3O3/c1-24-18-4-2-3-15(13-18)22-19(23)21-14-5-7-16(8-6-14)25-17-9-11-20-12-10-17/h2-13H,1H3,(H2,21,22,23)
InChIKeyNGFSLUIJVFWOSO-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.53
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea

1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea (PubChem CID 44565732) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea
PubChem CID44565732
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1
InChIInChI=1S/C19H17N3O3/c1-24-18-4-2-3-15(13-18)22-19(23)21-14-5-7-16(8-6-14)25-17-9-11-20-12-10-17/h2-13H,1H3,(H2,21,22,23)
InChIKeyNGFSLUIJVFWOSO-UHFFFAOYSA-N
XLogP4.53
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea (CID 44565732) is 1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The InChIKey is NGFSLUIJVFWOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-24-18-4-2-3-15(13-18)22-19(23)21-14-5-7-16(8-6-14)25-17-9-11-20-12-10-17/h2-13H,1H3,(H2,21,22,23).
What are the key properties of 1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea has a molecular weight of 335.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(4-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 44565732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).