4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one

C12H17N3O — CID 122360163

IUPAC4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCCN1C(=O)CC(CN)C1c1cccnc1
InChIInChI=1S/C12H17N3O/c1-2-15-11(16)6-10(7-13)12(15)9-4-3-5-14-8-9/h3-5,8,10,12H,2,6-7,13H2,1H3
InChIKeyXAKZNHAVAZJJJB-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.95
Rot. Bonds3

About 4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one

4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 122360163) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID122360163
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCCN1C(=O)CC(CN)C1c1cccnc1
InChIInChI=1S/C12H17N3O/c1-2-15-11(16)6-10(7-13)12(15)9-4-3-5-14-8-9/h3-5,8,10,12H,2,6-7,13H2,1H3
InChIKeyXAKZNHAVAZJJJB-UHFFFAOYSA-N
XLogP0.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-5-oxo-1-propyl-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 167464072
2-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetic acid
CID 96597128
[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanamine
CID 86319036
(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl)methyl methanesulfonate
CID 10334069
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
(4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one
CID 94933876
[(1S,2S)-2-pyridin-3-ylcyclopentyl]methanamine
CID 138571732

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one (CID 122360163) is 4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one is CCN1C(=O)CC(CN)C1c1cccnc1.
What is the InChIKey of 4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is XAKZNHAVAZJJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-15-11(16)6-10(7-13)12(15)9-4-3-5-14-8-9/h3-5,8,10,12H,2,6-7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one?
4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 122360163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).