3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide

C17H19N5O — CID 166429910

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide
SMILESC#CCCC1(CCC(=O)NCCc2cccn3ccnc23)N=N1
InChIInChI=1S/C17H19N5O/c1-2-3-8-17(20-21-17)9-6-15(23)18-10-7-14-5-4-12-22-13-11-19-16(14)22/h1,4-5,11-13H,3,6-10H2,(H,18,23)
InChIKeyJSEPKLULQHEGNP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.35
Rot. Bonds8

About 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide (PubChem CID 166429910) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide
PubChem CID166429910
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide
SMILESC#CCCC1(CCC(=O)NCCc2cccn3ccnc23)N=N1
InChIInChI=1S/C17H19N5O/c1-2-3-8-17(20-21-17)9-6-15(23)18-10-7-14-5-4-12-22-13-11-19-16(14)22/h1,4-5,11-13H,3,6-10H2,(H,18,23)
InChIKeyJSEPKLULQHEGNP-UHFFFAOYSA-N
XLogP2.35
TPSA71.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(3-pyridin-4-yl-1H-pyrazol-5-yl)ethyl]propanamide
CID 166429925
3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide
CID 170526590
methyl 3-[2-[[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]methyl]phenyl]propanoate
CID 166418186
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-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propanamide
CID 154786065
3-(3-but-3-ynyldiazirin-3-yl)-N-(isoquinolin-1-ylmethyl)propanamide
CID 166417625
3-(3-but-3-ynyldiazirin-3-yl)-N-(2-indazol-1-ylethyl)propanamide
CID 167985643
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 166417753
3-(3-but-3-ynyldiazirin-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 167973790
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide
CID 154769463
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethyl]propanamide
CID 146152928
N-[[1-(4-bromophenyl)tetrazol-5-yl]methyl]-3-(3-but-3-ynyldiazirin-3-yl)propanamide
CID 166429464

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide (CID 166429910) is 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide is C#CCCC1(CCC(=O)NCCc2cccn3ccnc23)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide?
The InChIKey is JSEPKLULQHEGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-3-8-17(20-21-17)9-6-15(23)18-10-7-14-5-4-12-22-13-11-19-16(14)22/h1,4-5,11-13H,3,6-10H2,(H,18,23).
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide is sourced from PubChem (CID 166429910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).