6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide

C19H24N4O — CID 109126362

IUPAC6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C19H24N4O/c1-14-8-7-9-15(2)18(14)20-19(24)16-10-11-17(22-21-16)23-12-5-3-4-6-13-23/h7-11H,3-6,12-13H2,1-2H3,(H,20,24)
InChIKeyNNGFJJNMMTVBQW-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.73
Rot. Bonds3

About 6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide

6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide (PubChem CID 109126362) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
PubChem CID109126362
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C19H24N4O/c1-14-8-7-9-15(2)18(14)20-19(24)16-10-11-17(22-21-16)23-12-5-3-4-6-13-23/h7-11H,3-6,12-13H2,1-2H3,(H,20,24)
InChIKeyNNGFJJNMMTVBQW-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109126367
N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112547
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116545
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027957
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109116550

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide (CID 109126362) is 6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc(N2CCCCCC2)nn1.
What is the InChIKey of 6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide?
The InChIKey is NNGFJJNMMTVBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-8-7-9-15(2)18(14)20-19(24)16-10-11-17(22-21-16)23-12-5-3-4-6-13-23/h7-11H,3-6,12-13H2,1-2H3,(H,20,24).
What are the key properties of 6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide?
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).