[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone

C19H25N5O3 — CID 109116727

IUPAC[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3cc(OC)ccc3OC)nn2)CC1
InChIInChI=1S/C19H25N5O3/c1-4-23-9-11-24(12-10-23)19(25)15-6-8-18(22-21-15)20-16-13-14(26-2)5-7-17(16)27-3/h5-8,13H,4,9-12H2,1-3H3,(H,20,22)
InChIKeyQDRUXBAMASYUSK-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.02
Rot. Bonds6

About [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone

[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109116727) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109116727
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3cc(OC)ccc3OC)nn2)CC1
InChIInChI=1S/C19H25N5O3/c1-4-23-9-11-24(12-10-23)19(25)15-6-8-18(22-21-15)20-16-13-14(26-2)5-7-17(16)27-3/h5-8,13H,4,9-12H2,1-3H3,(H,20,22)
InChIKeyQDRUXBAMASYUSK-UHFFFAOYSA-N
XLogP2.02
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone 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

ethyl 2-[[6-(4-ethylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109116763
6-(2,5-dimethoxyanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124457
(4-ethylpiperazin-1-yl)-[6-[2-(3-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
CID 109116645
4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117020
6-(2,5-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126252
(4-ethylpiperazin-1-yl)-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109154845
(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
CID 109116683
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109125715
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150
(4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone
CID 109168685
N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096865

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109116727) is [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(Nc3cc(OC)ccc3OC)nn2)CC1.
What is the InChIKey of [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is QDRUXBAMASYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-4-23-9-11-24(12-10-23)19(25)15-6-8-18(22-21-15)20-16-13-14(26-2)5-7-17(16)27-3/h5-8,13H,4,9-12H2,1-3H3,(H,20,22).
What are the key properties of [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone?
[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109116727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).