1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea

C14H13F2N3O2 — CID 155522913

IUPAC1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(C)cn1
InChIInChI=1S/C14H13F2N3O2/c1-8-7-18-12(19-14(20)17-2)6-11(8)21-13-9(15)4-3-5-10(13)16/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyPMXOXZSVWGIOEG-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.21
Rot. Bonds3

About 1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea

1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea (PubChem CID 155522913) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea
PubChem CID155522913
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)c(C)cn1
InChIInChI=1S/C14H13F2N3O2/c1-8-7-18-12(19-14(20)17-2)6-11(8)21-13-9(15)4-3-5-10(13)16/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyPMXOXZSVWGIOEG-UHFFFAOYSA-N
XLogP3.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea 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-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea (CID 155522913) is 1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2c(F)cccc2F)c(C)cn1.
What is the InChIKey of 1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea?
The InChIKey is PMXOXZSVWGIOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-8-7-18-12(19-14(20)17-2)6-11(8)21-13-9(15)4-3-5-10(13)16/h3-7H,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea?
1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea has a molecular weight of 293.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 155522913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).