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

C13H11N5O — CID 19609018

IUPAC4-azido-N-(pyridin-2-ylmethyl)benzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C13H11N5O/c14-18-17-11-6-4-10(5-7-11)13(19)16-9-12-3-1-2-8-15-12/h1-8H,9H2,(H,16,19)
InChIKeyKMJZEUWURXLJHZ-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.95
Rot. Bonds4

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

4-azido-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 19609018) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-azido-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-azido-N-(pyridin-2-ylmethyl)benzamide
PubChem CID19609018
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name4-azido-N-(pyridin-2-ylmethyl)benzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C13H11N5O/c14-18-17-11-6-4-10(5-7-11)13(19)16-9-12-3-1-2-8-15-12/h1-8H,9H2,(H,16,19)
InChIKeyKMJZEUWURXLJHZ-UHFFFAOYSA-N
XLogP2.95
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.95
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

methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51101128
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-azido-N-(pyridin-2-ylmethyl)benzamide (CID 19609018) is 4-azido-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-azido-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-azido-N-(pyridin-2-ylmethyl)benzamide is [N-]=[N+]=Nc1ccc(C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-azido-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is KMJZEUWURXLJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-18-17-11-6-4-10(5-7-11)13(19)16-9-12-3-1-2-8-15-12/h1-8H,9H2,(H,16,19).
What are the key properties of 4-azido-N-(pyridin-2-ylmethyl)benzamide?
4-azido-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 253.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 19609018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).