1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one

C14H21N3O — CID 119649334

IUPAC1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one
SMILESCNCC1CCCN1C(=O)C(C)c1cccnc1
InChIInChI=1S/C14H21N3O/c1-11(12-5-3-7-16-9-12)14(18)17-8-4-6-13(17)10-15-2/h3,5,7,9,11,13,15H,4,6,8,10H2,1-2H3
InChIKeyJDNTZIQDIWNRCZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.40
Rot. Bonds4

About 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one (PubChem CID 119649334) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one
PubChem CID119649334
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one
SMILESCNCC1CCCN1C(=O)C(C)c1cccnc1
InChIInChI=1S/C14H21N3O/c1-11(12-5-3-7-16-9-12)14(18)17-8-4-6-13(17)10-15-2/h3,5,7,9,11,13,15H,4,6,8,10H2,1-2H3
InChIKeyJDNTZIQDIWNRCZ-UHFFFAOYSA-N
XLogP1.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
CID 119466897
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride
CID 119649918
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 120607621
6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113209
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119651338
3-(3-fluorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119649913
3-(3-methoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119651265
3-(2-fluorophenyl)-2-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119651746
2-(3-chlorophenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119650053
2-(3-tert-butylphenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119649746
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 81483948

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one (CID 119649334) is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one is CNCC1CCCN1C(=O)C(C)c1cccnc1.
What is the InChIKey of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one?
The InChIKey is JDNTZIQDIWNRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(12-5-3-7-16-9-12)14(18)17-8-4-6-13(17)10-15-2/h3,5,7,9,11,13,15H,4,6,8,10H2,1-2H3.
What are the key properties of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one?
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 119649334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).