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

C10H12ClN3O — CID 168688168

IUPAC1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
SMILESCc1ccnc(N2CC(Cl)CC2=O)c1N
InChIInChI=1S/C10H12ClN3O/c1-6-2-3-13-10(9(6)12)14-5-7(11)4-8(14)15/h2-3,7H,4-5,12H2,1H3
InChIKeyZNKVCGZSTSETFN-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.32
Rot. Bonds1

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

1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one (PubChem CID 168688168) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
PubChem CID168688168
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
SMILESCc1ccnc(N2CC(Cl)CC2=O)c1N
InChIInChI=1S/C10H12ClN3O/c1-6-2-3-13-10(9(6)12)14-5-7(11)4-8(14)15/h2-3,7H,4-5,12H2,1H3
InChIKeyZNKVCGZSTSETFN-UHFFFAOYSA-N
XLogP1.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688351
4-chloro-1-(5-iodo-3-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688270
4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688103
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
1-(2-amino-3,5-dimethylphenyl)-4-chloropyrrolidin-2-one
CID 168688113
4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
2-(3-ethylazetidin-1-yl)-4-methylpyridin-3-amine
CID 164661827
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
ethyl 3-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168687501
4-chloro-1-(3,5-dichloropyrazin-2-yl)pyrrolidin-2-one
CID 168688926
1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688085

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one?
The IUPAC name of 1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one (CID 168688168) is 1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one is Cc1ccnc(N2CC(Cl)CC2=O)c1N.
What is the InChIKey of 1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one?
The InChIKey is ZNKVCGZSTSETFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-6-2-3-13-10(9(6)12)14-5-7(11)4-8(14)15/h2-3,7H,4-5,12H2,1H3.
What are the key properties of 1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one?
1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one has a molecular weight of 225.68 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168688168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).