4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one

C12H15N5O — CID 168656894

IUPAC4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(CN=[N+]=[N-])CC2=O)cc(C)n1
InChIInChI=1S/C12H15N5O/c1-8-3-11(4-9(2)15-8)17-7-10(5-12(17)18)6-14-16-13/h3-4,10H,5-7H2,1-2H3
InChIKeyYTMCLZYWJFZFPR-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.36
Rot. Bonds3

About 4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one

4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one (PubChem CID 168656894) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
PubChem CID168656894
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(CN=[N+]=[N-])CC2=O)cc(C)n1
InChIInChI=1S/C12H15N5O/c1-8-3-11(4-9(2)15-8)17-7-10(5-12(17)18)6-14-16-13/h3-4,10H,5-7H2,1-2H3
InChIKeyYTMCLZYWJFZFPR-UHFFFAOYSA-N
XLogP2.36
TPSA81.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one
CID 168657014
4-(azidomethyl)-1-(4-bromo-3,5-difluorophenyl)pyrrolidin-2-one
CID 168657886
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656814
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926
4-(azidomethyl)-1-(4-hydroxy-2,5-dimethylphenyl)pyrrolidin-2-one
CID 168656904
4-(azidomethyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168656677
5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168658238
[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]boronic acid
CID 168658361
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
4-(azidomethyl)-1-(2-hydroxy-3,5-dimethylphenyl)pyrrolidin-2-one
CID 168656730

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one (CID 168656894) is 4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one is Cc1cc(N2CC(CN=[N+]=[N-])CC2=O)cc(C)n1.
What is the InChIKey of 4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one?
The InChIKey is YTMCLZYWJFZFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-3-11(4-9(2)15-8)17-7-10(5-12(17)18)6-14-16-13/h3-4,10H,5-7H2,1-2H3.
What are the key properties of 4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one has a molecular weight of 245.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168656894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).