1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea

C14H20FN3O2 — CID 75390048

IUPAC1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea
SMILESCCC(NC(=O)NCc1ncccc1F)C1CCCO1
InChIInChI=1S/C14H20FN3O2/c1-2-11(13-6-4-8-20-13)18-14(19)17-9-12-10(15)5-3-7-16-12/h3,5,7,11,13H,2,4,6,8-9H2,1H3,(H2,17,18,19)
InChIKeyRTZIFULIGTZZSW-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.98
Rot. Bonds5

About 1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea

1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea (PubChem CID 75390048) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea
PubChem CID75390048
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea
SMILESCCC(NC(=O)NCc1ncccc1F)C1CCCO1
InChIInChI=1S/C14H20FN3O2/c1-2-11(13-6-4-8-20-13)18-14(19)17-9-12-10(15)5-3-7-16-12/h3,5,7,11,13H,2,4,6,8-9H2,1H3,(H2,17,18,19)
InChIKeyRTZIFULIGTZZSW-UHFFFAOYSA-N
XLogP1.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea (CID 75390048) is 1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea is CCC(NC(=O)NCc1ncccc1F)C1CCCO1.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea?
The InChIKey is RTZIFULIGTZZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-2-11(13-6-4-8-20-13)18-14(19)17-9-12-10(15)5-3-7-16-12/h3,5,7,11,13H,2,4,6,8-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea?
1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea has a molecular weight of 281.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)methyl]-3-[1-(oxolan-2-yl)propyl]urea is sourced from PubChem (CID 75390048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).