6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide

C18H24N4O — CID 109124304

IUPAC6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccccc2C(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-5-22(6-2)17-12-11-16(20-21-17)18(23)19-15-10-8-7-9-14(15)13(3)4/h7-13H,5-6H2,1-4H3,(H,19,23)
InChIKeyFKBHLUUSTSYNDI-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.70
Rot. Bonds6

About 6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide

6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109124304) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID109124304
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccccc2C(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-5-22(6-2)17-12-11-16(20-21-17)18(23)19-15-10-8-7-9-14(15)13(3)4/h7-13H,5-6H2,1-4H3,(H,19,23)
InChIKeyFKBHLUUSTSYNDI-UHFFFAOYSA-N
XLogP3.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 109124304) is 6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide is CCN(CC)c1ccc(C(=O)Nc2ccccc2C(C)C)nn1.
What is the InChIKey of 6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is FKBHLUUSTSYNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-22(6-2)17-12-11-16(20-21-17)18(23)19-15-10-8-7-9-14(15)13(3)4/h7-13H,5-6H2,1-4H3,(H,19,23).
What are the key properties of 6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109124304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).