2-azido-N-(pyridin-4-ylmethyl)acetamide

C8H9N5O — CID 112708135

IUPAC2-azido-N-(pyridin-4-ylmethyl)acetamide
SMILES[N-]=[N+]=NCC(=O)NCc1ccncc1
InChIInChI=1S/C8H9N5O/c9-13-12-6-8(14)11-5-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,11,14)
InChIKeyUWJPNDRYSVUWTF-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.01
Rot. Bonds4

About 2-azido-N-(pyridin-4-ylmethyl)acetamide

2-azido-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 112708135) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-azido-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-azido-N-(pyridin-4-ylmethyl)acetamide
PubChem CID112708135
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2-azido-N-(pyridin-4-ylmethyl)acetamide
SMILES[N-]=[N+]=NCC(=O)NCc1ccncc1
InChIInChI=1S/C8H9N5O/c9-13-12-6-8(14)11-5-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,11,14)
InChIKeyUWJPNDRYSVUWTF-UHFFFAOYSA-N
XLogP1.01
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.01
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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Related Compounds

2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280
4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
CID 154583502
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 108997033
(2S)-3-methylidene-1-N,2-N-bis(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 21177980
N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide
CID 110690817
3-cyano-N-(pyridin-4-ylmethyl)propanamide
CID 82111754
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
CID 108940811

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-azido-N-(pyridin-4-ylmethyl)acetamide (CID 112708135) is 2-azido-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-azido-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-azido-N-(pyridin-4-ylmethyl)acetamide is [N-]=[N+]=NCC(=O)NCc1ccncc1.
What is the InChIKey of 2-azido-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is UWJPNDRYSVUWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-13-12-6-8(14)11-5-7-1-3-10-4-2-7/h1-4H,5-6H2,(H,11,14).
What are the key properties of 2-azido-N-(pyridin-4-ylmethyl)acetamide?
2-azido-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 191.19 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 112708135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).