N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide

C21H23N7O — CID 109124209

IUPACN-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C21H23N7O/c1-2-16-6-3-4-7-17(16)24-20(29)18-8-9-19(26-25-18)27-12-14-28(15-13-27)21-22-10-5-11-23-21/h3-11H,2,12-15H2,1H3,(H,24,29)
InChIKeyNZMUGSDJLWNLPH-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.41
Rot. Bonds5

About N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide

N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109124209) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109124209
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C21H23N7O/c1-2-16-6-3-4-7-17(16)24-20(29)18-8-9-19(26-25-18)27-12-14-28(15-13-27)21-22-10-5-11-23-21/h3-11H,2,12-15H2,1H3,(H,24,29)
InChIKeyNZMUGSDJLWNLPH-UHFFFAOYSA-N
XLogP2.41
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160643
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124222
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
N-(2-ethylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108530365
N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124224
6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 60859186
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N,N-dipropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124196
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide
CID 109117149
N-(2-ethylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958044
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109124209) is N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide is CCc1ccccc1NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)nn1.
What is the InChIKey of N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is NZMUGSDJLWNLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-2-16-6-3-4-7-17(16)24-20(29)18-8-9-19(26-25-18)27-12-14-28(15-13-27)21-22-10-5-11-23-21/h3-11H,2,12-15H2,1H3,(H,24,29).
What are the key properties of N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide?
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109124209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).