1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea

C15H16FN3O2 — CID 72545915

IUPAC1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea
SMILESCCNC(=O)Nc1ncccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c1-2-17-15(20)19-14-13(4-3-9-18-14)21-10-11-5-7-12(16)8-6-11/h3-9H,2,10H2,1H3,(H2,17,18,19,20)
InChIKeyCGMMRIAFKFLGQN-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.94
Rot. Bonds5

About 1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea

1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea (PubChem CID 72545915) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea
PubChem CID72545915
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea
SMILESCCNC(=O)Nc1ncccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c1-2-17-15(20)19-14-13(4-3-9-18-14)21-10-11-5-7-12(16)8-6-11/h3-9H,2,10H2,1H3,(H2,17,18,19,20)
InChIKeyCGMMRIAFKFLGQN-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-3-benzyloxypyridine
CID 90334
U 101958
CID 5615
1-(3-Benzyloxy-2-pyridyl)-3-phenyl-urea
CID 3663276
(3-Ethoxy-pyridin-2-yl)-pyridin-2-yl-amine
CID 11321863
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
8-[[(5-Cyclobutyloxy-2-pyridinyl)amino]methyl]-3-pyridin-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 44159353
US10155760, Example 23
CID 118419711
US10155760, Example 19
CID 118419969
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
US10155760, Example 5
CID 118420335

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea?
The IUPAC name of 1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea (CID 72545915) is 1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea?
The canonical SMILES for 1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea is CCNC(=O)Nc1ncccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea?
The InChIKey is CGMMRIAFKFLGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-2-17-15(20)19-14-13(4-3-9-18-14)21-10-11-5-7-12(16)8-6-11/h3-9H,2,10H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea?
1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea has a molecular weight of 289.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea is sourced from PubChem (CID 72545915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).