2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide

C20H24N6O2 — CID 138589116

IUPAC2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
SMILESCOC1CCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1
InChIInChI=1S/C20H24N6O2/c1-25-12-16(11-21-25)14-3-4-18-15(9-14)10-19(24-23-18)22-20(27)13-26-7-5-17(28-2)6-8-26/h3-4,9-12,17H,5-8,13H2,1-2H3,(H,22,24,27)
InChIKeyPLQJLPDYASCFRI-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.08
Rot. Bonds5

About 2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide

2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide (PubChem CID 138589116) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
PubChem CID138589116
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
SMILESCOC1CCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1
InChIInChI=1S/C20H24N6O2/c1-25-12-16(11-21-25)14-3-4-18-15(9-14)10-19(24-23-18)22-20(27)13-26-7-5-17(28-2)6-8-26/h3-4,9-12,17H,5-8,13H2,1-2H3,(H,22,24,27)
InChIKeyPLQJLPDYASCFRI-UHFFFAOYSA-N
XLogP2.08
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide (CID 138589116) is 2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide is COC1CCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3nn2)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The InChIKey is PLQJLPDYASCFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25-12-16(11-21-25)14-3-4-18-15(9-14)10-19(24-23-18)22-20(27)13-26-7-5-17(28-2)6-8-26/h3-4,9-12,17H,5-8,13H2,1-2H3,(H,22,24,27).
What are the key properties of 2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide is sourced from PubChem (CID 138589116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).