6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide

C21H29N5O — CID 109116550

IUPAC6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3c(C)cccc3C(C)C)nn2)CC1
InChIInChI=1S/C21H29N5O/c1-5-25-11-13-26(14-12-25)19-10-9-18(23-24-19)21(27)22-20-16(4)7-6-8-17(20)15(2)3/h6-10,15H,5,11-14H2,1-4H3,(H,22,27)
InChIKeyWNMWENOCHYIZFI-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.30
Rot. Bonds5

About 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide

6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109116550) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID109116550
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3c(C)cccc3C(C)C)nn2)CC1
InChIInChI=1S/C21H29N5O/c1-5-25-11-13-26(14-12-25)19-10-9-18(23-24-19)21(27)22-20-16(4)7-6-8-17(20)15(2)3/h6-10,15H,5,11-14H2,1-4H3,(H,22,27)
InChIKeyWNMWENOCHYIZFI-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112547
N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116545
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109345330
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109126367
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084586
N-[4-(diethylamino)-2-methylphenyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116610
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110294
N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302442
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133499682

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 109116550) is 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide is CCN1CCN(c2ccc(C(=O)Nc3c(C)cccc3C(C)C)nn2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is WNMWENOCHYIZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-5-25-11-13-26(14-12-25)19-10-9-18(23-24-19)21(27)22-20-16(4)7-6-8-17(20)15(2)3/h6-10,15H,5,11-14H2,1-4H3,(H,22,27).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide?
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).