1-(3-acetylphenyl)-3-pyridin-3-ylurea

C14H13N3O2 — CID 978050

IUPAC1-(3-acetylphenyl)-3-pyridin-3-ylurea
SMILESCC(=O)c1cccc(NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H13N3O2/c1-10(18)11-4-2-5-12(8-11)16-14(19)17-13-6-3-7-15-9-13/h2-9H,1H3,(H2,16,17,19)
InChIKeyOVSZXHQAHHKCKJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.93
Rot. Bonds3

About 1-(3-acetylphenyl)-3-pyridin-3-ylurea

1-(3-acetylphenyl)-3-pyridin-3-ylurea (PubChem CID 978050) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-pyridin-3-ylurea
PubChem CID978050
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-(3-acetylphenyl)-3-pyridin-3-ylurea
SMILESCC(=O)c1cccc(NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H13N3O2/c1-10(18)11-4-2-5-12(8-11)16-14(19)17-13-6-3-7-15-9-13/h2-9H,1H3,(H2,16,17,19)
InChIKeyOVSZXHQAHHKCKJ-UHFFFAOYSA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(3-acetylphenyl)-3-pyridin-3-ylurea (CID 978050) is 1-(3-acetylphenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(3-acetylphenyl)-3-pyridin-3-ylurea is CC(=O)c1cccc(NC(=O)Nc2cccnc2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-pyridin-3-ylurea?
The InChIKey is OVSZXHQAHHKCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10(18)11-4-2-5-12(8-11)16-14(19)17-13-6-3-7-15-9-13/h2-9H,1H3,(H2,16,17,19).
What are the key properties of 1-(3-acetylphenyl)-3-pyridin-3-ylurea?
1-(3-acetylphenyl)-3-pyridin-3-ylurea has a molecular weight of 255.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 978050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).