1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea

C15H16FN3O2 — CID 86987150

IUPAC1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2ccc(C)cc2F)ccn1
InChIInChI=1S/C15H16FN3O2/c1-10-3-4-13(12(16)7-10)19-15(20)18-9-11-5-6-17-14(8-11)21-2/h3-8H,9H2,1-2H3,(H2,18,19,20)
InChIKeyAURTYTXNGBYXDX-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea

1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea (PubChem CID 86987150) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
PubChem CID86987150
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2ccc(C)cc2F)ccn1
InChIInChI=1S/C15H16FN3O2/c1-10-3-4-13(12(16)7-10)19-15(20)18-9-11-5-6-17-14(8-11)21-2/h3-8H,9H2,1-2H3,(H2,18,19,20)
InChIKeyAURTYTXNGBYXDX-UHFFFAOYSA-N
XLogP2.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147
1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
1-(3-chloro-2-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032003
5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide
CID 146080383
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86989203
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55142287
1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 50830130
3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18155598
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea (CID 86987150) is 1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea is COc1cc(CNC(=O)Nc2ccc(C)cc2F)ccn1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The InChIKey is AURTYTXNGBYXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10-3-4-13(12(16)7-10)19-15(20)18-9-11-5-6-17-14(8-11)21-2/h3-8H,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea has a molecular weight of 289.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 86987150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).