3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one

C15H22FN3O — CID 83125772

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCN(C)CC1CCCN1CCC(=O)c1ccc(F)cn1
InChIInChI=1S/C15H22FN3O/c1-18(2)11-13-4-3-8-19(13)9-7-15(20)14-6-5-12(16)10-17-14/h5-6,10,13H,3-4,7-9,11H2,1-2H3
InChIKeySBFDREDSZXRWQO-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.82
Rot. Bonds6

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

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one (PubChem CID 83125772) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one
PubChem CID83125772
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCN(C)CC1CCCN1CCC(=O)c1ccc(F)cn1
InChIInChI=1S/C15H22FN3O/c1-18(2)11-13-4-3-8-19(13)9-7-15(20)14-6-5-12(16)10-17-14/h5-6,10,13H,3-4,7-9,11H2,1-2H3
InChIKeySBFDREDSZXRWQO-UHFFFAOYSA-N
XLogP1.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 83125914
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83110513
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126722
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126546
1-(5-fluoro-2-pyridinyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102886440
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
3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126842
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one
CID 83126479
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
CID 83126274
(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 81316793

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one (CID 83125772) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one is CN(C)CC1CCCN1CCC(=O)c1ccc(F)cn1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The InChIKey is SBFDREDSZXRWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-18(2)11-13-4-3-8-19(13)9-7-15(20)14-6-5-12(16)10-17-14/h5-6,10,13H,3-4,7-9,11H2,1-2H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one has a molecular weight of 279.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 83125772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).