N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide

C20H27N5O3 — CID 109116505

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NCc3ccc(OC)c(OC)c3)nn2)CC1
InChIInChI=1S/C20H27N5O3/c1-4-24-9-11-25(12-10-24)19-8-6-16(22-23-19)20(26)21-14-15-5-7-17(27-2)18(13-15)28-3/h5-8,13H,4,9-12,14H2,1-3H3,(H,21,26)
InChIKeyCMZXXWNOOABJPW-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.57
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109116505) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109116505
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NCc3ccc(OC)c(OC)c3)nn2)CC1
InChIInChI=1S/C20H27N5O3/c1-4-24-9-11-25(12-10-24)19-8-6-16(22-23-19)20(26)21-14-15-5-7-17(27-2)18(13-15)28-3/h5-8,13H,4,9-12,14H2,1-3H3,(H,21,26)
InChIKeyCMZXXWNOOABJPW-UHFFFAOYSA-N
XLogP1.57
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111768
6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109123466
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278606
6-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109116492
6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116486
1-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylguanidine
CID 111201990
1-[(3,4-dimethoxyphenyl)methyl]-2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111053340
6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109109847
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
2-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109168727
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345258

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109116505) is N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide is CCN1CCN(c2ccc(C(=O)NCc3ccc(OC)c(OC)c3)nn2)CC1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is CMZXXWNOOABJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-4-24-9-11-25(12-10-24)19-8-6-16(22-23-19)20(26)21-14-15-5-7-17(27-2)18(13-15)28-3/h5-8,13H,4,9-12,14H2,1-3H3,(H,21,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).