1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea

C17H20FN3O2 — CID 60610934

IUPAC1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
SMILESCCN(CC)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C17H20FN3O2/c1-3-21(4-2)17(22)20-12-13-8-9-16(19-11-13)23-15-7-5-6-14(18)10-15/h5-11H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyUOPQKLDLPSVHKI-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.56
Rot. Bonds6

About 1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea

1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea (PubChem CID 60610934) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
PubChem CID60610934
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
SMILESCCN(CC)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C17H20FN3O2/c1-3-21(4-2)17(22)20-12-13-8-9-16(19-11-13)23-15-7-5-6-14(18)10-15/h5-11H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyUOPQKLDLPSVHKI-UHFFFAOYSA-N
XLogP3.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 60610844
3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 60610815
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111875939
1-butyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111151288
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 60610599
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119870373
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111249543
1-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549762

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea?
The IUPAC name of 1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea (CID 60610934) is 1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea is CCN(CC)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1.
What is the InChIKey of 1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea?
The InChIKey is UOPQKLDLPSVHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-3-21(4-2)17(22)20-12-13-8-9-16(19-11-13)23-15-7-5-6-14(18)10-15/h5-11H,3-4,12H2,1-2H3,(H,20,22).
What are the key properties of 1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea?
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea has a molecular weight of 317.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 60610934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).