3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one

C16H26FN3O — CID 115941018

IUPAC3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCCCN(CCN(C)C)CC(C)C(=O)c1ccc(F)cn1
InChIInChI=1S/C16H26FN3O/c1-5-8-20(10-9-19(3)4)12-13(2)16(21)15-7-6-14(17)11-18-15/h6-7,11,13H,5,8-10,12H2,1-4H3
InChIKeyXAXPXWBLNNQCCC-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.31
Rot. Bonds9

About 3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one

3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (PubChem CID 115941018) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
PubChem CID115941018
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCCCN(CCN(C)C)CC(C)C(=O)c1ccc(F)cn1
InChIInChI=1S/C16H26FN3O/c1-5-8-20(10-9-19(3)4)12-13(2)16(21)15-7-6-14(17)11-18-15/h6-7,11,13H,5,8-10,12H2,1-4H3
InChIKeyXAXPXWBLNNQCCC-UHFFFAOYSA-N
XLogP2.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586213
3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586193
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 107486381
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586221
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586223
1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one
CID 115941085
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104643248
3,3-diethoxy-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112583457
1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
CID 83126762
1-(5-fluoro-2-pyridinyl)-2,4,4-trimethylpentane-1,3-dione
CID 112583432

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (CID 115941018) is 3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is CCCN(CCN(C)C)CC(C)C(=O)c1ccc(F)cn1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The InChIKey is XAXPXWBLNNQCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-5-8-20(10-9-19(3)4)12-13(2)16(21)15-7-6-14(17)11-18-15/h6-7,11,13H,5,8-10,12H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one has a molecular weight of 295.40 g/mol, XLogP of 2.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 115941018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).