6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide

C20H26N4O — CID 109126367

IUPAC6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C20H26N4O/c1-3-16-10-8-9-15(2)19(16)21-20(25)17-11-12-18(23-22-17)24-13-6-4-5-7-14-24/h8-12H,3-7,13-14H2,1-2H3,(H,21,25)
InChIKeyVMWLDUYTFJOFOP-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.98
Rot. Bonds4

About 6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide

6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109126367) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
PubChem CID109126367
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C20H26N4O/c1-3-16-10-8-9-15(2)19(16)21-20(25)17-11-12-18(23-22-17)24-13-6-4-5-7-14-24/h8-12H,3-7,13-14H2,1-2H3,(H,21,25)
InChIKeyVMWLDUYTFJOFOP-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116545
N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112547
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182066
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334362
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109116550
N-(2-ethyl-6-methylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235210
2-[(2-ethyl-6-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 650275
N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide (CID 109126367) is 6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide is CCc1cccc(C)c1NC(=O)c1ccc(N2CCCCCC2)nn1.
What is the InChIKey of 6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is VMWLDUYTFJOFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-16-10-8-9-15(2)19(16)21-20(25)17-11-12-18(23-22-17)24-13-6-4-5-7-14-24/h8-12H,3-7,13-14H2,1-2H3,(H,21,25).
What are the key properties of 6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide?
6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.98, 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-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).