1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one

C10H13ClN4O — CID 168660638

IUPAC1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc(Cl)nc2N)C1
InChIInChI=1S/C10H13ClN4O/c11-8-2-1-7(10(13)14-8)15-5-6(4-12)3-9(15)16/h1-2,6H,3-5,12H2,(H2,13,14)
InChIKeyKGKFHWKQZCVUIL-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.63
Rot. Bonds2

About 1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one

1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one (PubChem CID 168660638) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
PubChem CID168660638
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc(Cl)nc2N)C1
InChIInChI=1S/C10H13ClN4O/c11-8-2-1-7(10(13)14-8)15-5-6(4-12)3-9(15)16/h1-2,6H,3-5,12H2,(H2,13,14)
InChIKeyKGKFHWKQZCVUIL-UHFFFAOYSA-N
XLogP0.63
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-6-chloro-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508785
4-(aminomethyl)-1-(6-chloro-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659881
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
4-(aminomethyl)-1-[4-chloro-2-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168660632
4-(aminomethyl)-1-(2-chloro-3-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168659748
[1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681533
4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168660467
1-(2-amino-3,4-dimethylphenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659787
4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168659951
4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871
4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one
CID 168661060
4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168661090

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one (CID 168660638) is 1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one is NCC1CC(=O)N(c2ccc(Cl)nc2N)C1.
What is the InChIKey of 1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one?
The InChIKey is KGKFHWKQZCVUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-8-2-1-7(10(13)14-8)15-5-6(4-12)3-9(15)16/h1-2,6H,3-5,12H2,(H2,13,14).
What are the key properties of 1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one?
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one has a molecular weight of 240.69 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168660638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).