1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea

C14H15N3O2 — CID 6468205

IUPAC1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccncc1
InChIInChI=1S/C14H15N3O2/c1-10-3-4-13(19-2)12(9-10)17-14(18)16-11-5-7-15-8-6-11/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyVVOAMFHAJNZXMP-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.04
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea

1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea (PubChem CID 6468205) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea
PubChem CID6468205
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccncc1
InChIInChI=1S/C14H15N3O2/c1-10-3-4-13(19-2)12(9-10)17-14(18)16-11-5-7-15-8-6-11/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyVVOAMFHAJNZXMP-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea (CID 6468205) is 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea is COc1ccc(C)cc1NC(=O)Nc1ccncc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea?
The InChIKey is VVOAMFHAJNZXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-3-4-13(19-2)12(9-10)17-14(18)16-11-5-7-15-8-6-11/h3-9H,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea?
1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea has a molecular weight of 257.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 6468205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).