N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide

C20H27N5O — CID 109116545

IUPACN-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2CCN(CC)CC2)nn1
InChIInChI=1S/C20H27N5O/c1-4-16-8-6-7-15(3)19(16)21-20(26)17-9-10-18(23-22-17)25-13-11-24(5-2)12-14-25/h6-10H,4-5,11-14H2,1-3H3,(H,21,26)
InChIKeyVMAIFJGIWIVBLK-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.74
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide

N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109116545) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109116545
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2CCN(CC)CC2)nn1
InChIInChI=1S/C20H27N5O/c1-4-16-8-6-7-15(3)19(16)21-20(26)17-9-10-18(23-22-17)25-13-11-24(5-2)12-14-25/h6-10H,4-5,11-14H2,1-3H3,(H,21,26)
InChIKeyVMAIFJGIWIVBLK-UHFFFAOYSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109126367
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109116550
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
N-(2-ethyl-6-methylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235210
N-[4-(diethylamino)-2-methylphenyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116610
N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112547
N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186512
N-(1,3-benzodioxol-5-yl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116596
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182066
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302442

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109116545) is N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide is CCc1cccc(C)c1NC(=O)c1ccc(N2CCN(CC)CC2)nn1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is VMAIFJGIWIVBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-4-16-8-6-7-15(3)19(16)21-20(26)17-9-10-18(23-22-17)25-13-11-24(5-2)12-14-25/h6-10H,4-5,11-14H2,1-3H3,(H,21,26).
What are the key properties of N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).