N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide

C16H18N6O — CID 166416747

IUPACN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
SMILESC#CCCC1(CCNC(=O)Cn2nc(C)c3cccnc32)N=N1
InChIInChI=1S/C16H18N6O/c1-3-4-7-16(20-21-16)8-10-17-14(23)11-22-15-13(12(2)19-22)6-5-9-18-15/h1,5-6,9H,4,7-8,10-11H2,2H3,(H,17,23)
InChIKeyTYUCQMNAXBSJLC-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.82
Rot. Bonds7

About N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide (PubChem CID 166416747) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
PubChem CID166416747
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
SMILESC#CCCC1(CCNC(=O)Cn2nc(C)c3cccnc32)N=N1
InChIInChI=1S/C16H18N6O/c1-3-4-7-16(20-21-16)8-10-17-14(23)11-22-15-13(12(2)19-22)6-5-9-18-15/h1,5-6,9H,4,7-8,10-11H2,2H3,(H,17,23)
InChIKeyTYUCQMNAXBSJLC-UHFFFAOYSA-N
XLogP1.82
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.82
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

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-fluoro-2-pyridinyl)propanamide
CID 167941512
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 166409852
(3R)-3-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 166430328
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 166416650
3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide
CID 166429910
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-(1,3-dimethylpyrazol-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
CID 166410065
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide
CID 166416421
1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
CID 166256644
2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 167857088
N-(3-acetamido-2-methylphenyl)-3-(3-but-3-ynyldiazirin-3-yl)propanamide
CID 167831893
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166416408

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide (CID 166416747) is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide is C#CCCC1(CCNC(=O)Cn2nc(C)c3cccnc32)N=N1.
What is the InChIKey of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The InChIKey is TYUCQMNAXBSJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-4-7-16(20-21-16)8-10-17-14(23)11-22-15-13(12(2)19-22)6-5-9-18-15/h1,5-6,9H,4,7-8,10-11H2,2H3,(H,17,23).
What are the key properties of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 166416747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).