1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one

C13H19N3O — CID 103575681

IUPAC1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccncc2)CC1N
InChIInChI=1S/C13H19N3O/c1-10-8-16(9-12(10)14)13(17)3-2-11-4-6-15-7-5-11/h4-7,10,12H,2-3,8-9,14H2,1H3
InChIKeyAGUYBHDTTIDQNS-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.82
Rot. Bonds3

About 1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one

1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 103575681) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID103575681
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccncc2)CC1N
InChIInChI=1S/C13H19N3O/c1-10-8-16(9-12(10)14)13(17)3-2-11-4-6-15-7-5-11/h4-7,10,12H,2-3,8-9,14H2,1H3
InChIKeyAGUYBHDTTIDQNS-UHFFFAOYSA-N
XLogP0.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574556
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303
1-[3-ethoxy-4-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 126836527
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 120742335
1-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70713701
4-[3-(3,4-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonyl chloride
CID 79179612
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305
1-[3-(4-aminophenyl)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 115341451
1-[(3aR,6aS)-5-[3-(3-hydroxyphenyl)propanoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-pyridin-4-ylpropan-1-one
CID 167758609
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95613223
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one (CID 103575681) is 1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one is CC1CN(C(=O)CCc2ccncc2)CC1N.
What is the InChIKey of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is AGUYBHDTTIDQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-8-16(9-12(10)14)13(17)3-2-11-4-6-15-7-5-11/h4-7,10,12H,2-3,8-9,14H2,1H3.
What are the key properties of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one?
1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 103575681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).