2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

C16H16N4O — CID 22509815

IUPAC2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)NCc2ccccn2)c2ccccc12
InChIInChI=1S/C16H16N4O/c1-12-14-7-2-3-8-15(14)20(19-12)11-16(21)18-10-13-6-4-5-9-17-13/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyZGEOMPUSXIOBHG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.06
Rot. Bonds4

About 2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 22509815) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID22509815
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)NCc2ccccn2)c2ccccc12
InChIInChI=1S/C16H16N4O/c1-12-14-7-2-3-8-15(14)20(19-12)11-16(21)18-10-13-6-4-5-9-17-13/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyZGEOMPUSXIOBHG-UHFFFAOYSA-N
XLogP2.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
2-(5-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 35762711
2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 4546851
2-(3-methylindazol-1-yl)-N-(2-methylphenyl)acetamide
CID 20886113
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35322613
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55712318
4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 20877648
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 18573430
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylindazol-1-yl)acetamide
CID 20886093
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-(pyridin-2-ylmethyl)acetamide
CID 75489429
2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 52899767

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 22509815) is 2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1nn(CC(=O)NCc2ccccn2)c2ccccc12.
What is the InChIKey of 2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ZGEOMPUSXIOBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-12-14-7-2-3-8-15(14)20(19-12)11-16(21)18-10-13-6-4-5-9-17-13/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of 2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 22509815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).