1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea

C14H13F2N3O2 — CID 47032147

IUPAC1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2c(F)cccc2F)ccn1
InChIInChI=1S/C14H13F2N3O2/c1-21-12-7-9(5-6-17-12)8-18-14(20)19-13-10(15)3-2-4-11(13)16/h2-7H,8H2,1H3,(H2,18,19,20)
InChIKeyJDYOYZWVJZTCRE-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.69
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea

1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea (PubChem CID 47032147) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
PubChem CID47032147
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2c(F)cccc2F)ccn1
InChIInChI=1S/C14H13F2N3O2/c1-21-12-7-9(5-6-17-12)8-18-14(20)19-13-10(15)3-2-4-11(13)16/h2-7H,8H2,1H3,(H2,18,19,20)
InChIKeyJDYOYZWVJZTCRE-UHFFFAOYSA-N
XLogP2.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

3-fluoro-2-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62989936
1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86987150
1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165562
1-(3-chloro-2-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032003
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282
1-(2-bromo-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 55696398
1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86986628
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55142287
1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108896680
1-(2,6-difluorophenyl)-3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]urea
CID 122252778

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea (CID 47032147) is 1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea is COc1cc(CNC(=O)Nc2c(F)cccc2F)ccn1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The InChIKey is JDYOYZWVJZTCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-21-12-7-9(5-6-17-12)8-18-14(20)19-13-10(15)3-2-4-11(13)16/h2-7H,8H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea has a molecular weight of 293.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 47032147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).