3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one

C16H24FN3O — CID 105417098

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cn1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H24FN3O/c1-19(2)16(8-4-9-16)12-20(3)10-7-15(21)14-6-5-13(17)11-18-14/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyILEBYSHIDRVCBX-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.21
Rot. Bonds7

About 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one

3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one (PubChem CID 105417098) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one
PubChem CID105417098
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cn1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H24FN3O/c1-19(2)16(8-4-9-16)12-20(3)10-7-15(21)14-6-5-13(17)11-18-14/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyILEBYSHIDRVCBX-UHFFFAOYSA-N
XLogP2.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
CID 83126274
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one
CID 83126479
1-(5-fluoro-2-pyridinyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 83110514
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-2-ylmethyl)amino]propan-1-one
CID 83126692
1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
CID 83126762
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 83126332
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 105415757
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418652

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one (CID 105417098) is 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one is CN(CCC(=O)c1ccc(F)cn1)CC1(N(C)C)CCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The InChIKey is ILEBYSHIDRVCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-19(2)16(8-4-9-16)12-20(3)10-7-15(21)14-6-5-13(17)11-18-14/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one has a molecular weight of 293.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 105417098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).