2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine

C16H20FN3O — CID 63405940

IUPAC2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(N(CC)c2ccccc2F)ccc1N
InChIInChI=1S/C16H20FN3O/c1-3-11-21-16-13(18)9-10-15(19-16)20(4-2)14-8-6-5-7-12(14)17/h5-10H,3-4,11,18H2,1-2H3
InChIKeyZIADEFHQMBCMLQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.75
Rot. Bonds6

About 2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine

2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine (PubChem CID 63405940) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine
PubChem CID63405940
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(N(CC)c2ccccc2F)ccc1N
InChIInChI=1S/C16H20FN3O/c1-3-11-21-16-13(18)9-10-15(19-16)20(4-2)14-8-6-5-7-12(14)17/h5-10H,3-4,11,18H2,1-2H3
InChIKeyZIADEFHQMBCMLQ-UHFFFAOYSA-N
XLogP3.75
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine (CID 63405940) is 2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(N(CC)c2ccccc2F)ccc1N.
What is the InChIKey of 2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is ZIADEFHQMBCMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-11-21-16-13(18)9-10-15(19-16)20(4-2)14-8-6-5-7-12(14)17/h5-10H,3-4,11,18H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine?
2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 289.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-fluorophenyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 63405940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).