benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate

C20H26N6O3 — CID 122350841

IUPACbenzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
SMILESCCNc1ccc(N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)nn1
InChIInChI=1S/C20H26N6O3/c1-2-21-17-8-9-18(24-23-17)25-10-12-26(13-11-25)19(27)14-22-20(28)29-15-16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3,(H,21,23)(H,22,28)
InChIKeyACKSIGSFXNLSRM-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.48
Rot. Bonds7

About benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate

benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate (PubChem CID 122350841) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
PubChem CID122350841
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Namebenzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
SMILESCCNc1ccc(N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)nn1
InChIInChI=1S/C20H26N6O3/c1-2-21-17-8-9-18(24-23-17)25-10-12-26(13-11-25)19(27)14-22-20(28)29-15-16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3,(H,21,23)(H,22,28)
InChIKeyACKSIGSFXNLSRM-UHFFFAOYSA-N
XLogP1.48
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate 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

benzyl N-[2-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 122336449
benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 122336159
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122350830
3-cyclopentyl-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350751
benzyl N-[2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 122340862
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 122350758
benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748952
benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 122339805
benzyl N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748954
ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
CID 112994654
[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 122350608
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 7178098

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate (CID 122350841) is benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate is CCNc1ccc(N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)nn1.
What is the InChIKey of benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is ACKSIGSFXNLSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-2-21-17-8-9-18(24-23-17)25-10-12-26(13-11-25)19(27)14-22-20(28)29-15-16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3,(H,21,23)(H,22,28).
What are the key properties of benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate?
benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 398.47 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 122350841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).