ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate

C19H22N4O3 — CID 113200571

IUPACethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C19H22N4O3/c1-2-26-19(25)23-12-10-15(11-13-23)20-18(24)17-9-8-16(21-22-17)14-6-4-3-5-7-14/h3-9,15H,2,10-13H2,1H3,(H,20,24)
InChIKeyOUWNCVGPEKWENA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.49
Rot. Bonds4

About ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 113200571) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID113200571
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nameethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C19H22N4O3/c1-2-26-19(25)23-12-10-15(11-13-23)20-18(24)17-9-8-16(21-22-17)14-6-4-3-5-7-14/h3-9,15H,2,10-13H2,1H3,(H,20,24)
InChIKeyOUWNCVGPEKWENA-UHFFFAOYSA-N
XLogP2.49
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-cyclohexyl-6-phenylpyridazine-3-carboxamide
CID 113200519
ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123792
ethyl 4-[[6-(2,3-dimethylanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123786
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 46636610
ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109373030
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 77086895
ethyl 4-[[2-(benzylamino)-6-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109327101
ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194072
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109179694

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate (CID 113200571) is ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is OUWNCVGPEKWENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-26-19(25)23-12-10-15(11-13-23)20-18(24)17-9-8-16(21-22-17)14-6-4-3-5-7-14/h3-9,15H,2,10-13H2,1H3,(H,20,24).
What are the key properties of ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 113200571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).