1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea

C15H16FN3O2 — CID 51324930

IUPAC1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O2/c1-21-14-7-4-12(9-17-14)10-19-15(20)18-8-11-2-5-13(16)6-3-11/h2-7,9H,8,10H2,1H3,(H2,18,19,20)
InChIKeyQUDFUMWBCQCQLC-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.23
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea

1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea (PubChem CID 51324930) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
PubChem CID51324930
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O2/c1-21-14-7-4-12(9-17-14)10-19-15(20)18-8-11-2-5-13(16)6-3-11/h2-7,9H,8,10H2,1H3,(H2,18,19,20)
InChIKeyQUDFUMWBCQCQLC-UHFFFAOYSA-N
XLogP2.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 86850595
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
CID 24605807
1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 62991565
2-(2-fluorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51306226
N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 86925104
1-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 94039689
6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 113323529

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea (CID 51324930) is 1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea is COc1ccc(CNC(=O)NCc2ccc(F)cc2)cn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The InChIKey is QUDFUMWBCQCQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-14-7-4-12(9-17-14)10-19-15(20)18-8-11-2-5-13(16)6-3-11/h2-7,9H,8,10H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea has a molecular weight of 289.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 51324930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).