N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C17H18N6O2 — CID 166419183

IUPACN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESC#CCCC1(CCNC(=O)CCc2nnc(-c3cccnc3)o2)N=N1
InChIInChI=1S/C17H18N6O2/c1-2-3-8-17(22-23-17)9-11-19-14(24)6-7-15-20-21-16(25-15)13-5-4-10-18-12-13/h1,4-5,10,12H,3,6-9,11H2,(H,19,24)
InChIKeyLBKLKUNDUXALEJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.15
Rot. Bonds9

About N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 166419183) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID166419183
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESC#CCCC1(CCNC(=O)CCc2nnc(-c3cccnc3)o2)N=N1
InChIInChI=1S/C17H18N6O2/c1-2-3-8-17(22-23-17)9-11-19-14(24)6-7-15-20-21-16(25-15)13-5-4-10-18-12-13/h1,4-5,10,12H,3,6-9,11H2,(H,19,24)
InChIKeyLBKLKUNDUXALEJ-UHFFFAOYSA-N
XLogP2.15
TPSA105.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide 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

N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330385
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 170459443
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-oxo-3-(pyridin-3-ylamino)propyl]propanamide
CID 166417757
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 154872250
N-cyclopentyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330351
N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330378
N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330424
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51132975
N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110320653
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 166416546
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-difluoro-1-pyridin-3-ylcyclobutane-1-carboxamide
CID 146152633
N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330455

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 166419183) is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide is C#CCCC1(CCNC(=O)CCc2nnc(-c3cccnc3)o2)N=N1.
What is the InChIKey of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is LBKLKUNDUXALEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-2-3-8-17(22-23-17)9-11-19-14(24)6-7-15-20-21-16(25-15)13-5-4-10-18-12-13/h1,4-5,10,12H,3,6-9,11H2,(H,19,24).
What are the key properties of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 338.37 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 166419183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).