1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide

C21H29N5O3 — CID 46410374

IUPAC1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)ccc1=O
InChIInChI=1S/C21H29N5O3/c1-17-4-3-5-18(16-17)25-12-10-24(11-13-25)9-8-22-21(28)19-6-7-20(27)26(23-19)14-15-29-2/h3-7,16H,8-15H2,1-2H3,(H,22,28)
InChIKeyUUTPEKSSTPCHDJ-UHFFFAOYSA-N
MW399.50 g/mol
LogP0.75
Rot. Bonds8

About 1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide

1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 46410374) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID46410374
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)ccc1=O
InChIInChI=1S/C21H29N5O3/c1-17-4-3-5-18(16-17)25-12-10-24(11-13-25)9-8-22-21(28)19-6-7-20(27)26(23-19)14-15-29-2/h3-7,16H,8-15H2,1-2H3,(H,22,28)
InChIKeyUUTPEKSSTPCHDJ-UHFFFAOYSA-N
XLogP0.75
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-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-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55657899
6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide
CID 55859833
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
methyl 5-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]pyridine-2-carboxylate
CID 112822713
2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 30900411
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109324073
methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide
CID 161383648
1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 38713115

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide (CID 46410374) is 1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is UUTPEKSSTPCHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-17-4-3-5-18(16-17)25-12-10-24(11-13-25)9-8-22-21(28)19-6-7-20(27)26(23-19)14-15-29-2/h3-7,16H,8-15H2,1-2H3,(H,22,28).
What are the key properties of 1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 46410374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).