2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

C16H18FN3O — CID 107337947

IUPAC2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C16H18FN3O/c1-11(12-3-5-13(17)6-4-12)20(2)16(21)9-15-8-7-14(18)10-19-15/h3-8,10-11H,9,18H2,1-2H3
InChIKeyXSIQGTRVTIJODF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.57
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 107337947) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID107337947
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C16H18FN3O/c1-11(12-3-5-13(17)6-4-12)20(2)16(21)9-15-8-7-14(18)10-19-15/h3-8,10-11H,9,18H2,1-2H3
InChIKeyXSIQGTRVTIJODF-UHFFFAOYSA-N
XLogP2.57
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 107337980
2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride
CID 120621646
2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 107339531
1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one
CID 158610916
2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride
CID 120620159
2-(5-amino-2-pyridinyl)-N,N-diethylacetamide;hydrochloride
CID 120616165
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 78824888
3-(2-aminophenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608425
N-(2-amino-2-oxoethyl)-2-(5-amino-2-pyridinyl)-N-(2-methylpropyl)acetamide
CID 107338053
N,N-dimethyl-2-(5-propan-2-yl-2-pyridinyl)acetamide
CID 176600306
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51267222

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 107337947) is 2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(F)cc1)N(C)C(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is XSIQGTRVTIJODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(12-3-5-13(17)6-4-12)20(2)16(21)9-15-8-7-14(18)10-19-15/h3-8,10-11H,9,18H2,1-2H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 287.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 107337947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).