ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate

C20H25N5O4 — CID 109123792

IUPACethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(Nc3ccccc3OC)nn2)CC1
InChIInChI=1S/C20H25N5O4/c1-3-29-20(27)25-12-10-14(11-13-25)21-19(26)16-8-9-18(24-23-16)22-15-6-4-5-7-17(15)28-2/h4-9,14H,3,10-13H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyFTTMYJMWZPBPKL-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.58
Rot. Bonds6

About ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109123792) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109123792
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Nameethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(Nc3ccccc3OC)nn2)CC1
InChIInChI=1S/C20H25N5O4/c1-3-29-20(27)25-12-10-14(11-13-25)21-19(26)16-8-9-18(24-23-16)22-15-6-4-5-7-17(15)28-2/h4-9,14H,3,10-13H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyFTTMYJMWZPBPKL-UHFFFAOYSA-N
XLogP2.58
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[[6-(2,3-dimethylanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123786
ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109110175
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide
CID 109125507
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194079
ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123868
ethyl 4-[5-(2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194154
ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109117873
ethyl 4-[[6-[3-(dimethylamino)propylcarbamoyl]pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109115992
N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109112427
ethyl 4-[6-(2-methoxyanilino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109373094
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate (CID 109123792) is ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(Nc3ccccc3OC)nn2)CC1.
What is the InChIKey of ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is FTTMYJMWZPBPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-3-29-20(27)25-12-10-14(11-13-25)21-19(26)16-8-9-18(24-23-16)22-15-6-4-5-7-17(15)28-2/h4-9,14H,3,10-13H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109123792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).