1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea

C20H24FN3O2 — CID 86838208

IUPAC1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCC2(c3ccc(F)cc3)CCOCC2)n1
InChIInChI=1S/C20H24FN3O2/c1-15-3-2-4-18(24-15)13-22-19(25)23-14-20(9-11-26-12-10-20)16-5-7-17(21)8-6-16/h2-8H,9-14H2,1H3,(H2,22,23,25)
InChIKeyUAKKFTSIYDAUJM-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.08
Rot. Bonds5

About 1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea

1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea (PubChem CID 86838208) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
PubChem CID86838208
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCC2(c3ccc(F)cc3)CCOCC2)n1
InChIInChI=1S/C20H24FN3O2/c1-15-3-2-4-18(24-15)13-22-19(25)23-14-20(9-11-26-12-10-20)16-5-7-17(21)8-6-16/h2-8H,9-14H2,1H3,(H2,22,23,25)
InChIKeyUAKKFTSIYDAUJM-UHFFFAOYSA-N
XLogP3.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea (CID 86838208) is 1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea is Cc1cccc(CNC(=O)NCC2(c3ccc(F)cc3)CCOCC2)n1.
What is the InChIKey of 1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The InChIKey is UAKKFTSIYDAUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15-3-2-4-18(24-15)13-22-19(25)23-14-20(9-11-26-12-10-20)16-5-7-17(21)8-6-16/h2-8H,9-14H2,1H3,(H2,22,23,25).
What are the key properties of 1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea has a molecular weight of 357.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 86838208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).