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

C13H13N3O2 — CID 694486

IUPAC1-(4-methoxyphenyl)-3-pyridin-4-ylurea
SMILESCOc1ccc(NC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C13H13N3O2/c1-18-12-4-2-10(3-5-12)15-13(17)16-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,17)
InChIKeyIFKGCTGEAFOLOL-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.73
Rot. Bonds3

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

1-(4-methoxyphenyl)-3-pyridin-4-ylurea (PubChem CID 694486) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-pyridin-4-ylurea
PubChem CID694486
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-(4-methoxyphenyl)-3-pyridin-4-ylurea
SMILESCOc1ccc(NC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C13H13N3O2/c1-18-12-4-2-10(3-5-12)15-13(17)16-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,17)
InChIKeyIFKGCTGEAFOLOL-UHFFFAOYSA-N
XLogP2.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(4-methoxyphenyl)-3-pyridin-4-ylurea (CID 694486) is 1-(4-methoxyphenyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-pyridin-4-ylurea is COc1ccc(NC(=O)Nc2ccncc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-pyridin-4-ylurea?
The InChIKey is IFKGCTGEAFOLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-12-4-2-10(3-5-12)15-13(17)16-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,17).
What are the key properties of 1-(4-methoxyphenyl)-3-pyridin-4-ylurea?
1-(4-methoxyphenyl)-3-pyridin-4-ylurea has a molecular weight of 243.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 694486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).