ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate

C20H25N5O3 — CID 109117873

IUPACethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C(=O)NCc3ccccc3)nn2)CC1
InChIInChI=1S/C20H25N5O3/c1-2-28-20(27)25-12-10-16(11-13-25)22-18-9-8-17(23-24-18)19(26)21-14-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,26)(H,22,24)
InChIKeyDRUHMQYOTIZLSA-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.44
Rot. Bonds6

About ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate

ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate (PubChem CID 109117873) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
PubChem CID109117873
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Nameethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C(=O)NCc3ccccc3)nn2)CC1
InChIInChI=1S/C20H25N5O3/c1-2-28-20(27)25-12-10-16(11-13-25)22-18-9-8-17(23-24-18)19(26)21-14-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,26)(H,22,24)
InChIKeyDRUHMQYOTIZLSA-UHFFFAOYSA-N
XLogP2.44
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109121105
ethyl 4-[[6-[3-(dimethylamino)propylcarbamoyl]pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109115992
ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 113043558
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
ethyl 4-[(N-benzyl-N'-methylcarbamimidoyl)amino]piperidine-1-carboxylate
CID 111328198
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109112095
ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109330240
ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123792
ethyl 4-[[4-(pyridin-3-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109307332
6-(cyclopentylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112110
ethyl 4-[[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112873698
6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109109847

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate (CID 109117873) is ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(C(=O)NCc3ccccc3)nn2)CC1.
What is the InChIKey of ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate?
The InChIKey is DRUHMQYOTIZLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-2-28-20(27)25-12-10-16(11-13-25)22-18-9-8-17(23-24-18)19(26)21-14-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,26)(H,22,24).
What are the key properties of ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109117873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).