1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea

C13H18FN3O3 — CID 126818180

IUPAC1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea
SMILESO=C(NCCOC1CCCCO1)Nc1ccc(F)cn1
InChIInChI=1S/C13H18FN3O3/c14-10-4-5-11(16-9-10)17-13(18)15-6-8-20-12-3-1-2-7-19-12/h4-5,9,12H,1-3,6-8H2,(H2,15,16,17,18)
InChIKeyAIGKHNYHFTVFJP-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.89
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea

1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea (PubChem CID 126818180) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea
PubChem CID126818180
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea
SMILESO=C(NCCOC1CCCCO1)Nc1ccc(F)cn1
InChIInChI=1S/C13H18FN3O3/c14-10-4-5-11(16-9-10)17-13(18)15-6-8-20-12-3-1-2-7-19-12/h4-5,9,12H,1-3,6-8H2,(H2,15,16,17,18)
InChIKeyAIGKHNYHFTVFJP-UHFFFAOYSA-N
XLogP1.89
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.89
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-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 97352901
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 146457189
(2S)-2-(5-fluoro-2-pyridinyl)-3-[5-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazol-4-yl]-3-oxopropanenitrile
CID 99630284
2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
CID 71216693
1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99599215
3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide
CID 125419741
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-2-ylmethoxy)pyridine-2-carboxamide
CID 118612900
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
1-(5-fluoro-2-pyridinyl)-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 99601286
5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63833702

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea (CID 126818180) is 1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea is O=C(NCCOC1CCCCO1)Nc1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea?
The InChIKey is AIGKHNYHFTVFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c14-10-4-5-11(16-9-10)17-13(18)15-6-8-20-12-3-1-2-7-19-12/h4-5,9,12H,1-3,6-8H2,(H2,15,16,17,18).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea?
1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea has a molecular weight of 283.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[2-(oxan-2-yloxy)ethyl]urea is sourced from PubChem (CID 126818180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).