1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea

C17H20FN3O2 — CID 53184961

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
SMILESCCOc1ncccc1CN(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-3-23-16-14(5-4-10-19-16)12-21(2)17(22)20-11-13-6-8-15(18)9-7-13/h4-10H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyYEPTYLJFBYBKPK-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.96
Rot. Bonds6

About 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea

1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea (PubChem CID 53184961) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
PubChem CID53184961
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
SMILESCCOc1ncccc1CN(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-3-23-16-14(5-4-10-19-16)12-21(2)17(22)20-11-13-6-8-15(18)9-7-13/h4-10H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyYEPTYLJFBYBKPK-UHFFFAOYSA-N
XLogP2.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
CID 53185039
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 53184960
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522
3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184952
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184953
1-[(3-fluorophenyl)methyl]-1-methyl-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 35671432
1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea
CID 53185034
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea
CID 53185078
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea (CID 53184961) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea is CCOc1ncccc1CN(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea?
The InChIKey is YEPTYLJFBYBKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-3-23-16-14(5-4-10-19-16)12-21(2)17(22)20-11-13-6-8-15(18)9-7-13/h4-10H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea has a molecular weight of 317.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 53184961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).