3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide

C18H23N5O2 — CID 166418105

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide
SMILESC#CCCC1(CCC(=O)NC2CCC(Oc3cnccn3)CC2)N=N1
InChIInChI=1S/C18H23N5O2/c1-2-3-9-18(22-23-18)10-8-16(24)21-14-4-6-15(7-5-14)25-17-13-19-11-12-20-17/h1,11-15H,3-10H2,(H,21,24)
InChIKeyGKYZINGBLKHJMC-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.64
Rot. Bonds8

About 3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide (PubChem CID 166418105) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide
PubChem CID166418105
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide
SMILESC#CCCC1(CCC(=O)NC2CCC(Oc3cnccn3)CC2)N=N1
InChIInChI=1S/C18H23N5O2/c1-2-3-9-18(22-23-18)10-8-16(24)21-14-4-6-15(7-5-14)25-17-13-19-11-12-20-17/h1,11-15H,3-10H2,(H,21,24)
InChIKeyGKYZINGBLKHJMC-UHFFFAOYSA-N
XLogP2.64
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 91626028
trans-(1R,3R)-3-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 136589159
3-(3-but-3-ynyldiazirin-3-yl)-N-[[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]propanamide
CID 166417741
2-phenylmethoxy-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 91626095
2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 154754030
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(3-imidazol-1-ylpropanoyl)piperidin-4-yl]propanamide
CID 166429938
1-[(3R)-hex-5-en-3-yl]-3-(4-pyrazin-2-yloxycyclohexyl)urea
CID 100687236
N-(4-pyrazin-2-yloxycyclohexyl)-1,2-oxazole-5-carboxamide
CID 91626018
N-(4-pyrazin-2-yloxycyclohexyl)furan-2-carboxamide
CID 91626044
5-methyl-N-(4-pyrazin-2-yloxycyclohexyl)-1,2-oxazole-4-carboxamide
CID 91626087
1-methyl-5-oxo-N-(4-pyrazin-2-yloxycyclohexyl)pyrrolidine-3-carboxamide
CID 91626098
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166409269

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide (CID 166418105) is 3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide is C#CCCC1(CCC(=O)NC2CCC(Oc3cnccn3)CC2)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide?
The InChIKey is GKYZINGBLKHJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-3-9-18(22-23-18)10-8-16(24)21-14-4-6-15(7-5-14)25-17-13-19-11-12-20-17/h1,11-15H,3-10H2,(H,21,24).
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide has a molecular weight of 341.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide is sourced from PubChem (CID 166418105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).