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

C13H19N3O — CID 81466575

IUPAC1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCNC1CCN(C(=O)CCc2ccccn2)C1
InChIInChI=1S/C13H19N3O/c1-14-12-7-9-16(10-12)13(17)6-5-11-4-2-3-8-15-11/h2-4,8,12,14H,5-7,9-10H2,1H3
InChIKeyOKVXNYVFRJYXRU-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.83
Rot. Bonds4

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

1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 81466575) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID81466575
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCNC1CCN(C(=O)CCc2ccccn2)C1
InChIInChI=1S/C13H19N3O/c1-14-12-7-9-16(10-12)13(17)6-5-11-4-2-3-8-15-11/h2-4,8,12,14H,5-7,9-10H2,1H3
InChIKeyOKVXNYVFRJYXRU-UHFFFAOYSA-N
XLogP0.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;dihydrochloride
CID 119596760
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
(4aS,8aR)-1-[2-(methylamino)ethyl]-6-(3-pyridin-2-ylpropanoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56901675
8-methyl-2-(3-pyridin-2-ylpropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50961999
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575658

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 81466575) is 1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one is CNC1CCN(C(=O)CCc2ccccn2)C1.
What is the InChIKey of 1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is OKVXNYVFRJYXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-12-7-9-16(10-12)13(17)6-5-11-4-2-3-8-15-11/h2-4,8,12,14H,5-7,9-10H2,1H3.
What are the key properties of 1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one?
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 81466575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).