1-(5-methyl-3-pyridinyl)-3-phenylurea

C13H13N3O — CID 110748489

IUPAC1-(5-methyl-3-pyridinyl)-3-phenylurea
SMILESCc1cncc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H13N3O/c1-10-7-12(9-14-8-10)16-13(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16,17)
InChIKeyPIGUXBLXIOEBRQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.03
Rot. Bonds2

About 1-(5-methyl-3-pyridinyl)-3-phenylurea

1-(5-methyl-3-pyridinyl)-3-phenylurea (PubChem CID 110748489) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-3-phenylurea
PubChem CID110748489
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(5-methyl-3-pyridinyl)-3-phenylurea
SMILESCc1cncc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H13N3O/c1-10-7-12(9-14-8-10)16-13(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16,17)
InChIKeyPIGUXBLXIOEBRQ-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-3-phenylurea?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-3-phenylurea (CID 110748489) is 1-(5-methyl-3-pyridinyl)-3-phenylurea.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-3-phenylurea?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-3-phenylurea is Cc1cncc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-3-phenylurea?
The InChIKey is PIGUXBLXIOEBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-7-12(9-14-8-10)16-13(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16,17).
What are the key properties of 1-(5-methyl-3-pyridinyl)-3-phenylurea?
1-(5-methyl-3-pyridinyl)-3-phenylurea has a molecular weight of 227.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-3-phenylurea is sourced from PubChem (CID 110748489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).