3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide

C12H11N5O2 — CID 106406851

IUPAC3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)NCc1ncon1
InChIInChI=1S/C12H11N5O2/c13-5-1-3-9-4-2-6-14-11(9)12(18)15-7-10-16-8-19-17-10/h2,4,6,8H,5,7,13H2,(H,15,18)
InChIKeyMSYQFBDFBQXBCE-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.30
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 106406851) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
PubChem CID106406851
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)NCc1ncon1
InChIInChI=1S/C12H11N5O2/c13-5-1-3-9-4-2-6-14-11(9)12(18)15-7-10-16-8-19-17-10/h2,4,6,8H,5,7,13H2,(H,15,18)
InChIKeyMSYQFBDFBQXBCE-UHFFFAOYSA-N
XLogP-0.30
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-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

3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide
CID 107523440
3-(3-aminoprop-1-ynyl)-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406870
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406855
methyl 3-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107523903
3-(3-aminoprop-1-ynyl)-N-(3,3-dimethylbutan-2-yl)pyridine-2-carboxamide
CID 107524757
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 107524221
3-(3-aminoprop-1-ynyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406846
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
ethyl 2-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107524020
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-aminoprop-1-ynyl)pyridine-2-carboxamide
CID 106240712
3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107524648
3-(3-aminoprop-1-ynyl)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 107523498

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide (CID 106406851) is 3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide is NCC#Cc1cccnc1C(=O)NCc1ncon1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is MSYQFBDFBQXBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c13-5-1-3-9-4-2-6-14-11(9)12(18)15-7-10-16-8-19-17-10/h2,4,6,8H,5,7,13H2,(H,15,18).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 257.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106406851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).