3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one

C14H21FN2O — CID 83126686

IUPAC3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCCCN(CCC)CCC(=O)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O/c1-3-8-17(9-4-2)10-7-14(18)13-6-5-12(15)11-16-13/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyOXLDXKLFJYMGAN-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.92
Rot. Bonds8

About 3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one

3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one (PubChem CID 83126686) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
PubChem CID83126686
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCCCN(CCC)CCC(=O)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O/c1-3-8-17(9-4-2)10-7-14(18)13-6-5-12(15)11-16-13/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyOXLDXKLFJYMGAN-UHFFFAOYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
CID 83126762
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one
CID 83126479
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834
1-(5-fluoro-2-pyridinyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 83110514
1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one
CID 79723515
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 83126332
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 105417098
3-[2-(dimethylamino)ethyl-propylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 115941018
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
CID 83126274
1-(5-fluoro-2-pyridinyl)but-3-yn-1-one
CID 79722226

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The IUPAC name of 3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one (CID 83126686) is 3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The canonical SMILES for 3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one is CCCN(CCC)CCC(=O)c1ccc(F)cn1.
What is the InChIKey of 3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The InChIKey is OXLDXKLFJYMGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-8-17(9-4-2)10-7-14(18)13-6-5-12(15)11-16-13/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one?
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one has a molecular weight of 252.33 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 83126686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).