N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide

C16H16N6O2 — CID 122162679

IUPACN-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCn1nccc1-c1ccc(CNC(=O)Cn2ncccc2=O)cn1
InChIInChI=1S/C16H16N6O2/c1-21-14(6-8-19-21)13-5-4-12(9-17-13)10-18-15(23)11-22-16(24)3-2-7-20-22/h2-9H,10-11H2,1H3,(H,18,23)
InChIKeyYAZDAQDLPYSNLH-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.36
Rot. Bonds5

About N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide

N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 122162679) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID122162679
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCn1nccc1-c1ccc(CNC(=O)Cn2ncccc2=O)cn1
InChIInChI=1S/C16H16N6O2/c1-21-14(6-8-19-21)13-5-4-12(9-17-13)10-18-15(23)11-22-16(24)3-2-7-20-22/h2-9H,10-11H2,1H3,(H,18,23)
InChIKeyYAZDAQDLPYSNLH-UHFFFAOYSA-N
XLogP0.36
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methylphenyl)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122162670
2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 121023422
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
CID 122162683
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162686
5-(furan-2-yl)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 122162680
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 91819251
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121123620
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121033720
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122353494
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide
CID 122278642
N-[(6-methoxy-3-pyridinyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979608

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 122162679) is N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide is Cn1nccc1-c1ccc(CNC(=O)Cn2ncccc2=O)cn1.
What is the InChIKey of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is YAZDAQDLPYSNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-21-14(6-8-19-21)13-5-4-12(9-17-13)10-18-15(23)11-22-16(24)3-2-7-20-22/h2-9H,10-11H2,1H3,(H,18,23).
What are the key properties of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 122162679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).