N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide

C21H30N6O — CID 122350969

IUPACN-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCCNc1ccc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)nn1
InChIInChI=1S/C21H30N6O/c1-5-22-18-10-11-19(25-24-18)26-12-14-27(15-13-26)20(28)23-17-8-6-16(7-9-17)21(2,3)4/h6-11H,5,12-15H2,1-4H3,(H,22,24)(H,23,28)
InChIKeyMLJJIDIZIHOXFN-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.56
Rot. Bonds4

About N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide

N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122350969) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122350969
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCCNc1ccc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)nn1
InChIInChI=1S/C21H30N6O/c1-5-22-18-10-11-19(25-24-18)26-12-14-27(15-13-26)20(28)23-17-8-6-16(7-9-17)21(2,3)4/h6-11H,5,12-15H2,1-4H3,(H,22,24)(H,23,28)
InChIKeyMLJJIDIZIHOXFN-UHFFFAOYSA-N
XLogP3.56
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122350668
4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122350638
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
3-cyclopentyl-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350751
(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350587
[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 122350608
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
(2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350588

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide (CID 122350969) is N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide is CCNc1ccc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)nn1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is MLJJIDIZIHOXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-5-22-18-10-11-19(25-24-18)26-12-14-27(15-13-26)20(28)23-17-8-6-16(7-9-17)21(2,3)4/h6-11H,5,12-15H2,1-4H3,(H,22,24)(H,23,28).
What are the key properties of N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122350969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).