N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide

C16H15Cl2N5O — CID 167860410

IUPACN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide
SMILESC#CCCC1(CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)N=N1
InChIInChI=1S/C16H15Cl2N5O/c1-2-3-4-16(21-22-16)5-6-19-14(24)8-12-10-23-9-11(17)7-13(18)15(23)20-12/h1,7,9-10H,3-6,8H2,(H,19,24)
InChIKeySIVGLIUYIYXYRX-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide (PubChem CID 167860410) has the molecular formula C16H15Cl2N5O and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide
PubChem CID167860410
Molecular FormulaC16H15Cl2N5O
Molecular Weight364.24 g/mol
Exact Mass363.07
IUPAC NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide
SMILESC#CCCC1(CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)N=N1
InChIInChI=1S/C16H15Cl2N5O/c1-2-3-4-16(21-22-16)5-6-19-14(24)8-12-10-23-9-11(17)7-13(18)15(23)20-12/h1,7,9-10H,3-6,8H2,(H,19,24)
InChIKeySIVGLIUYIYXYRX-UHFFFAOYSA-N
XLogP3.27
TPSA71.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.27
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

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 166416441
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 146149820
N-[2-[2-(3-but-3-ynyldiazirin-3-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide
CID 146149809
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[2-[(1-methylcyclopentyl)amino]-1,3-thiazol-4-yl]acetamide
CID 166416726
2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide
CID 97068947
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 166416532
3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid
CID 119362699
2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 71873152
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propanamide
CID 154786065
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 167857088
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-phenylethyl)pyrazole-3-carboxamide
CID 166416703
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 166416650

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide (CID 167860410) is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide is C#CCCC1(CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)N=N1.
What is the InChIKey of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide?
The InChIKey is SIVGLIUYIYXYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O/c1-2-3-4-16(21-22-16)5-6-19-14(24)8-12-10-23-9-11(17)7-13(18)15(23)20-12/h1,7,9-10H,3-6,8H2,(H,19,24).
What are the key properties of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide?
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide has a molecular weight of 364.24 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 167860410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).