[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

C18H21N3O — CID 102539784

IUPAC[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCN(C)c1ccc(C2CCCN2C(=O)c2ccccc2)cn1
InChIInChI=1S/C18H21N3O/c1-20(2)17-11-10-15(13-19-17)16-9-6-12-21(16)18(22)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3
InChIKeyBFVGFOIHTDOSTO-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.12
Rot. Bonds3

About [2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 102539784) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID102539784
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCN(C)c1ccc(C2CCCN2C(=O)c2ccccc2)cn1
InChIInChI=1S/C18H21N3O/c1-20(2)17-11-10-15(13-19-17)16-9-6-12-21(16)18(22)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3
InChIKeyBFVGFOIHTDOSTO-UHFFFAOYSA-N
XLogP3.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102541890
tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541141
[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102542918
[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102540166
[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 102540373
phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
CID 124500188
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
CID 102539774
phenyl-[(2R)-2-quinolin-6-ylpiperidin-1-yl]methanone
CID 124501089
tert-butyl N-[5-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-phenylcarbamate
CID 102541375
2H-benzotriazol-5-yl-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 124994429
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024

Frequently Asked Questions

What is the IUPAC name of [2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (CID 102539784) is [2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is CN(C)c1ccc(C2CCCN2C(=O)c2ccccc2)cn1.
What is the InChIKey of [2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is BFVGFOIHTDOSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20(2)17-11-10-15(13-19-17)16-9-6-12-21(16)18(22)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3.
What are the key properties of [2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 295.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 102539784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).