1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one

C11H14N6O — CID 168656814

IUPAC1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
SMILESCc1ccc(N)c(N2CC(CN=[N+]=[N-])CC2=O)n1
InChIInChI=1S/C11H14N6O/c1-7-2-3-9(12)11(15-7)17-6-8(4-10(17)18)5-14-16-13/h2-3,8H,4-6,12H2,1H3
InChIKeyRMIICLCWHXFKKE-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.64
Rot. Bonds3

About 1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one

1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one (PubChem CID 168656814) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
PubChem CID168656814
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
SMILESCc1ccc(N)c(N2CC(CN=[N+]=[N-])CC2=O)n1
InChIInChI=1S/C11H14N6O/c1-7-2-3-9(12)11(15-7)17-6-8(4-10(17)18)5-14-16-13/h2-3,8H,4-6,12H2,1H3
InChIKeyRMIICLCWHXFKKE-UHFFFAOYSA-N
XLogP1.64
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.64
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

1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656987
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]pyrrolidin-2-one
CID 168656998
4-(azidomethyl)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one
CID 168656790
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-(2-methylquinolin-4-yl)pyrrolidin-2-one
CID 168657014
1-(3-amino-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696888
4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one
CID 168658636

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one (CID 168656814) is 1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one is Cc1ccc(N)c(N2CC(CN=[N+]=[N-])CC2=O)n1.
What is the InChIKey of 1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one?
The InChIKey is RMIICLCWHXFKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7-2-3-9(12)11(15-7)17-6-8(4-10(17)18)5-14-16-13/h2-3,8H,4-6,12H2,1H3.
What are the key properties of 1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one?
1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one has a molecular weight of 246.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168656814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).