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

C10H12N6O — CID 168658459

IUPAC1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ncccc2N)C1
InChIInChI=1S/C10H12N6O/c11-8-2-1-3-13-10(8)16-6-7(4-9(16)17)5-14-15-12/h1-3,7H,4-6,11H2
InChIKeyVXTOJLYUIJJJAW-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.33
Rot. Bonds3

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

1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one (PubChem CID 168658459) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
PubChem CID168658459
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ncccc2N)C1
InChIInChI=1S/C10H12N6O/c11-8-2-1-3-13-10(8)16-6-7(4-9(16)17)5-14-15-12/h1-3,7H,4-6,11H2
InChIKeyVXTOJLYUIJJJAW-UHFFFAOYSA-N
XLogP1.33
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168658114
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 168656242
1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656814
4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one
CID 168658636
4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168658182
4-(azidomethyl)-1-(4-bromoisoquinolin-1-yl)pyrrolidin-2-one
CID 168657621
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656987
1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692272
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657581
4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168657443

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one (CID 168658459) is 1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2ncccc2N)C1.
What is the InChIKey of 1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one?
The InChIKey is VXTOJLYUIJJJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c11-8-2-1-3-13-10(8)16-6-7(4-9(16)17)5-14-15-12/h1-3,7H,4-6,11H2.
What are the key properties of 1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one?
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one has a molecular weight of 232.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168658459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).