1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea

C19H17N3O2 — CID 2810997

IUPAC1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccnc1
InChIInChI=1S/C19H17N3O2/c23-19(22-17-7-4-12-20-13-17)21-16-8-10-18(11-9-16)24-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,21,22,23)
InChIKeyHUTGEFJXICYPKZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.30
Rot. Bonds5

About 1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea

1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea (PubChem CID 2810997) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea
PubChem CID2810997
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccnc1
InChIInChI=1S/C19H17N3O2/c23-19(22-17-7-4-12-20-13-17)21-16-8-10-18(11-9-16)24-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,21,22,23)
InChIKeyHUTGEFJXICYPKZ-UHFFFAOYSA-N
XLogP4.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea (CID 2810997) is 1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea is O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccnc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea?
The InChIKey is HUTGEFJXICYPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(22-17-7-4-12-20-13-17)21-16-8-10-18(11-9-16)24-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,21,22,23).
What are the key properties of 1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea?
1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea has a molecular weight of 319.36 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 2810997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).