4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one

C10H13N3O — CID 168699821

IUPAC4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one
SMILESCc1cnccc1N1CC(N)CC1=O
InChIInChI=1S/C10H13N3O/c1-7-5-12-3-2-9(7)13-6-8(11)4-10(13)14/h2-3,5,8H,4,6,11H2,1H3
InChIKeyPUGYGNOZHRVIBA-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.45
Rot. Bonds1

About 4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one

4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one (PubChem CID 168699821) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one
PubChem CID168699821
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one
SMILESCc1cnccc1N1CC(N)CC1=O
InChIInChI=1S/C10H13N3O/c1-7-5-12-3-2-9(7)13-6-8(11)4-10(13)14/h2-3,5,8H,4,6,11H2,1H3
InChIKeyPUGYGNOZHRVIBA-UHFFFAOYSA-N
XLogP0.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-methoxy-3-pyridinyl)pyrrolidin-2-one
CID 168699582
methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693768
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168699843
4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 168699736
4-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 66476045
4-amino-1-(4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 43521184
4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 83531050
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
4-methyl-1-(3-methyl-4-pyridinyl)pyrrolidin-3-amine
CID 103577369
1-(4-amino-3-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671788
4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168699685

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one (CID 168699821) is 4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one is Cc1cnccc1N1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one?
The InChIKey is PUGYGNOZHRVIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-5-12-3-2-9(7)13-6-8(11)4-10(13)14/h2-3,5,8H,4,6,11H2,1H3.
What are the key properties of 4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one?
4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168699821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).