ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate

C20H23FN4O4 — CID 31844596

IUPACethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CC1
InChIInChI=1S/C20H23FN4O4/c1-3-29-20(28)24-10-8-14(9-11-24)22-19(27)18-17(26)12-13(2)25(23-18)16-7-5-4-6-15(16)21/h4-7,12,14H,3,8-11H2,1-2H3,(H,22,27)
InChIKeyDCUCQUAWSDXRLG-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.03
Rot. Bonds4

About ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 31844596) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID31844596
Molecular FormulaC20H23FN4O4
Molecular Weight402.43 g/mol
Exact Mass402.17
IUPAC Nameethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CC1
InChIInChI=1S/C20H23FN4O4/c1-3-29-20(28)24-10-8-14(9-11-24)22-19(27)18-17(26)12-13(2)25(23-18)16-7-5-4-6-15(16)21/h4-7,12,14H,3,8-11H2,1-2H3,(H,22,27)
InChIKeyDCUCQUAWSDXRLG-UHFFFAOYSA-N
XLogP2.03
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

3-[4-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119423489
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride
CID 119447197
N-[(2-ethoxyphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 60565851
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544
1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 9082115
3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 56812348
1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one
CID 31059497
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9291779
ethyl 4-[[5-methyl-1-(3-methylphenyl)pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 110372841
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate (CID 31844596) is ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CC1.
What is the InChIKey of ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is DCUCQUAWSDXRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4/c1-3-29-20(28)24-10-8-14(9-11-24)22-19(27)18-17(26)12-13(2)25(23-18)16-7-5-4-6-15(16)21/h4-7,12,14H,3,8-11H2,1-2H3,(H,22,27).
What are the key properties of ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 402.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 31844596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).