6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide

C19H24N4O — CID 109126365

IUPAC6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(N3CCCCCC3)nn2)cc1
InChIInChI=1S/C19H24N4O/c1-2-15-7-9-16(10-8-15)20-19(24)17-11-12-18(22-21-17)23-13-5-3-4-6-14-23/h7-12H,2-6,13-14H2,1H3,(H,20,24)
InChIKeyLAMRLHRMDXDRCO-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.67
Rot. Bonds4

About 6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide

6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide (PubChem CID 109126365) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
PubChem CID109126365
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(N3CCCCCC3)nn2)cc1
InChIInChI=1S/C19H24N4O/c1-2-15-7-9-16(10-8-15)20-19(24)17-11-12-18(22-21-17)23-13-5-3-4-6-14-23/h7-12H,2-6,13-14H2,1H3,(H,20,24)
InChIKeyLAMRLHRMDXDRCO-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109126367
6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109127308
N-(4-ethylphenyl)-6-methylpyridazine-3-carboxamide
CID 110705292
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027985
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide (CID 109126365) is 6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide is CCc1ccc(NC(=O)c2ccc(N3CCCCCC3)nn2)cc1.
What is the InChIKey of 6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
The InChIKey is LAMRLHRMDXDRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-15-7-9-16(10-8-15)20-19(24)17-11-12-18(22-21-17)23-13-5-3-4-6-14-23/h7-12H,2-6,13-14H2,1H3,(H,20,24).
What are the key properties of 6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.67, 4 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-(4-ethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).