1-benzyl-3-(6-methyl-2-pyridinyl)urea

C14H15N3O — CID 16764115

IUPAC1-benzyl-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H15N3O/c1-11-6-5-9-13(16-11)17-14(18)15-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H2,15,16,17,18)
InChIKeyPKQNQVOOKSPFLY-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.71
Rot. Bonds3

About 1-benzyl-3-(6-methyl-2-pyridinyl)urea

1-benzyl-3-(6-methyl-2-pyridinyl)urea (PubChem CID 16764115) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-benzyl-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(6-methyl-2-pyridinyl)urea
PubChem CID16764115
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-benzyl-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H15N3O/c1-11-6-5-9-13(16-11)17-14(18)15-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H2,15,16,17,18)
InChIKeyPKQNQVOOKSPFLY-UHFFFAOYSA-N
XLogP2.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-benzyl-3-(6-methyl-2-pyridinyl)urea (CID 16764115) is 1-benzyl-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-benzyl-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-benzyl-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NCc2ccccc2)n1.
What is the InChIKey of 1-benzyl-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is PKQNQVOOKSPFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-6-5-9-13(16-11)17-14(18)15-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-benzyl-3-(6-methyl-2-pyridinyl)urea?
1-benzyl-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 241.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 16764115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).