2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

C16H22N4O2 — CID 22509904

IUPAC2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc2cnn(CC(=O)NCCN3CCOCC3)c2c1
InChIInChI=1S/C16H22N4O2/c1-13-2-3-14-11-18-20(15(14)10-13)12-16(21)17-4-5-19-6-8-22-9-7-19/h2-3,10-11H,4-9,12H2,1H3,(H,17,21)
InChIKeyOQKRIRQYDDERTK-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.79
Rot. Bonds5

About 2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 22509904) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID22509904
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc2cnn(CC(=O)NCCN3CCOCC3)c2c1
InChIInChI=1S/C16H22N4O2/c1-13-2-3-14-11-18-20(15(14)10-13)12-16(21)17-4-5-19-6-8-22-9-7-19/h2-3,10-11H,4-9,12H2,1H3,(H,17,21)
InChIKeyOQKRIRQYDDERTK-UHFFFAOYSA-N
XLogP0.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 22509904) is 2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1ccc2cnn(CC(=O)NCCN3CCOCC3)c2c1.
What is the InChIKey of 2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is OQKRIRQYDDERTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13-2-3-14-11-18-20(15(14)10-13)12-16(21)17-4-5-19-6-8-22-9-7-19/h2-3,10-11H,4-9,12H2,1H3,(H,17,21).
What are the key properties of 2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylindazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 22509904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).