1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea

C14H21N3O2 — CID 86793306

IUPAC1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea
SMILESCc1cccc(NC(=O)N(C)CC2CCCOC2)n1
InChIInChI=1S/C14H21N3O2/c1-11-5-3-7-13(15-11)16-14(18)17(2)9-12-6-4-8-19-10-12/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,15,16,18)
InChIKeyXMIJDVXADQEAAJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.28
Rot. Bonds3

About 1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea

1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea (PubChem CID 86793306) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea
PubChem CID86793306
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea
SMILESCc1cccc(NC(=O)N(C)CC2CCCOC2)n1
InChIInChI=1S/C14H21N3O2/c1-11-5-3-7-13(15-11)16-14(18)17(2)9-12-6-4-8-19-10-12/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,15,16,18)
InChIKeyXMIJDVXADQEAAJ-UHFFFAOYSA-N
XLogP2.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea (CID 86793306) is 1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea is Cc1cccc(NC(=O)N(C)CC2CCCOC2)n1.
What is the InChIKey of 1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea?
The InChIKey is XMIJDVXADQEAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-5-3-7-13(15-11)16-14(18)17(2)9-12-6-4-8-19-10-12/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,15,16,18).
What are the key properties of 1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea?
1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea has a molecular weight of 263.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-methyl-2-pyridinyl)-1-(oxan-3-ylmethyl)urea is sourced from PubChem (CID 86793306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).