1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one

C15H23N3O — CID 115270676

IUPAC1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCNCC1(C)CCCN1C(=O)CCc1ccncc1
InChIInChI=1S/C15H23N3O/c1-15(12-16-2)8-3-11-18(15)14(19)5-4-13-6-9-17-10-7-13/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3
InChIKeyFTEZBCSRSKEUMW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.61
Rot. Bonds5

About 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 115270676) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID115270676
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCNCC1(C)CCCN1C(=O)CCc1ccncc1
InChIInChI=1S/C15H23N3O/c1-15(12-16-2)8-3-11-18(15)14(19)5-4-13-6-9-17-10-7-13/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3
InChIKeyFTEZBCSRSKEUMW-UHFFFAOYSA-N
XLogP1.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one
CID 115270824
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 115267025
4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one
CID 115276831
9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626908
(5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115270641
4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzoic acid
CID 119185565
3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 115270808
[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 115270635
4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonyl chloride
CID 65397426
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 115270597
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-4-pyridin-4-ylbutan-1-one
CID 115275087

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 115270676) is 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one is CNCC1(C)CCCN1C(=O)CCc1ccncc1.
What is the InChIKey of 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is FTEZBCSRSKEUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(12-16-2)8-3-11-18(15)14(19)5-4-13-6-9-17-10-7-13/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3.
What are the key properties of 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 115270676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).