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

C18H22N6O — CID 138590694

IUPAC2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1cc2cc(-c3cnn(C)c3)ccc2nn1
InChIInChI=1S/C18H22N6O/c1-4-24(5-2)12-18(25)20-17-9-14-8-13(6-7-16(14)21-22-17)15-10-19-23(3)11-15/h6-11H,4-5,12H2,1-3H3,(H,20,22,25)
InChIKeyCXOYDMBUYRJQJI-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.31
Rot. Bonds6

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

2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide (PubChem CID 138590694) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
PubChem CID138590694
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1cc2cc(-c3cnn(C)c3)ccc2nn1
InChIInChI=1S/C18H22N6O/c1-4-24(5-2)12-18(25)20-17-9-14-8-13(6-7-16(14)21-22-17)15-10-19-23(3)11-15/h6-11H,4-5,12H2,1-3H3,(H,20,22,25)
InChIKeyCXOYDMBUYRJQJI-UHFFFAOYSA-N
XLogP2.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide (CID 138590694) is 2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide is CCN(CC)CC(=O)Nc1cc2cc(-c3cnn(C)c3)ccc2nn1.
What is the InChIKey of 2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
The InChIKey is CXOYDMBUYRJQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-4-24(5-2)12-18(25)20-17-9-14-8-13(6-7-16(14)21-22-17)15-10-19-23(3)11-15/h6-11H,4-5,12H2,1-3H3,(H,20,22,25).
What are the key properties of 2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide?
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide has a molecular weight of 338.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide is sourced from PubChem (CID 138590694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).