5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C12H11N5OS — CID 134162978

IUPAC5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILES[N-]=[N+]=NCc1ccc(C(=O)NCc2cccnc2)s1
InChIInChI=1S/C12H11N5OS/c13-17-16-8-10-3-4-11(19-10)12(18)15-7-9-2-1-5-14-6-9/h1-6H,7-8H2,(H,15,18)
InChIKeyZASKZTMKCTUDDS-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.88
Rot. Bonds5

About 5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 134162978) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID134162978
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILES[N-]=[N+]=NCc1ccc(C(=O)NCc2cccnc2)s1
InChIInChI=1S/C12H11N5OS/c13-17-16-8-10-3-4-11(19-10)12(18)15-7-9-2-1-5-14-6-9/h1-6H,7-8H2,(H,15,18)
InChIKeyZASKZTMKCTUDDS-UHFFFAOYSA-N
XLogP2.88
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.88
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'}

Analyze 5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(azidomethyl)-N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-carboxamide
CID 134163009
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 117084261
N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 29204192
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
N-benzylpyridine-3-carboxamide chloride
CID 21204170
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 134162978) is 5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is [N-]=[N+]=NCc1ccc(C(=O)NCc2cccnc2)s1.
What is the InChIKey of 5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is ZASKZTMKCTUDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c13-17-16-8-10-3-4-11(19-10)12(18)15-7-9-2-1-5-14-6-9/h1-6H,7-8H2,(H,15,18).
What are the key properties of 5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 134162978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).