N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide

C11H15N5O — CID 15541065

IUPACN-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(CN=[N+]=[N-])n1
InChIInChI=1S/C11H15N5O/c1-11(2,3)10(17)15-9-6-4-5-8(14-9)7-13-16-12/h4-6H,7H2,1-3H3,(H,14,15,17)
InChIKeyBEIQXDXIUBJGGW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.88
Rot. Bonds3

About N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide

N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 15541065) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID15541065
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(CN=[N+]=[N-])n1
InChIInChI=1S/C11H15N5O/c1-11(2,3)10(17)15-9-6-4-5-8(14-9)7-13-16-12/h4-6H,7H2,1-3H3,(H,14,15,17)
InChIKeyBEIQXDXIUBJGGW-UHFFFAOYSA-N
XLogP2.88
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide (CID 15541065) is N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(CN=[N+]=[N-])n1.
What is the InChIKey of N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is BEIQXDXIUBJGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-11(2,3)10(17)15-9-6-4-5-8(14-9)7-13-16-12/h4-6H,7H2,1-3H3,(H,14,15,17).
What are the key properties of N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 233.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azidomethyl)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 15541065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).