1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea

C19H25FN4O2 — CID 55794559

IUPAC1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea
SMILESCCN(CC)c1ccc(CNC(=O)NCCOc2ccc(F)cc2)cn1
InChIInChI=1S/C19H25FN4O2/c1-3-24(4-2)18-10-5-15(13-22-18)14-23-19(25)21-11-12-26-17-8-6-16(20)7-9-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,21,23,25)
InChIKeyMXVTYIUXQIDJPK-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.95
Rot. Bonds9

About 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea

1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea (PubChem CID 55794559) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea
PubChem CID55794559
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea
SMILESCCN(CC)c1ccc(CNC(=O)NCCOc2ccc(F)cc2)cn1
InChIInChI=1S/C19H25FN4O2/c1-3-24(4-2)18-10-5-15(13-22-18)14-23-19(25)21-11-12-26-17-8-6-16(20)7-9-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,21,23,25)
InChIKeyMXVTYIUXQIDJPK-UHFFFAOYSA-N
XLogP2.95
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 55769818
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18164688
1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60605473
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454346
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 112975116
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(4-fluorophenoxy)propyl]urea
CID 60601729
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986667
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939102
1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970527
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpropanamide
CID 119846340

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea?
The IUPAC name of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea (CID 55794559) is 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea?
The canonical SMILES for 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea is CCN(CC)c1ccc(CNC(=O)NCCOc2ccc(F)cc2)cn1.
What is the InChIKey of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea?
The InChIKey is MXVTYIUXQIDJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-3-24(4-2)18-10-5-15(13-22-18)14-23-19(25)21-11-12-26-17-8-6-16(20)7-9-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,21,23,25).
What are the key properties of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea?
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea has a molecular weight of 360.43 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea is sourced from PubChem (CID 55794559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).