methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate

C22H24N4O3 — CID 90916888

IUPACmethyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate
SMILESCCn1nc(-c2ccccc2)c(CCCC(=O)OC)c(Nc2cccnc2)c1=O
InChIInChI=1S/C22H24N4O3/c1-3-26-22(28)21(24-17-11-8-14-23-15-17)18(12-7-13-19(27)29-2)20(25-26)16-9-5-4-6-10-16/h4-6,8-11,14-15,24H,3,7,12-13H2,1-2H3
InChIKeyBANAPZYPQUFUFF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.56
Rot. Bonds8

About methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate

methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate (PubChem CID 90916888) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate
PubChem CID90916888
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Namemethyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate
SMILESCCn1nc(-c2ccccc2)c(CCCC(=O)OC)c(Nc2cccnc2)c1=O
InChIInChI=1S/C22H24N4O3/c1-3-26-22(28)21(24-17-11-8-14-23-15-17)18(12-7-13-19(27)29-2)20(25-26)16-9-5-4-6-10-16/h4-6,8-11,14-15,24H,3,7,12-13H2,1-2H3
InChIKeyBANAPZYPQUFUFF-UHFFFAOYSA-N
XLogP3.56
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate with MolForge

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Related Compounds

ethyl 1-ethyl-3-(4-methylphenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carboxylate
CID 11653739
(6-ethoxy-6-oxohexyl) 1-ethyl-6-oxo-5-(pyridin-3-ylamino)-3-thiophen-2-ylpyridazine-4-carboxylate
CID 11504004
1-cyclohexyloxycarbonyloxyethyl 1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazine-4-carboxylate
CID 11634821
3-[4-acetyl-1-ethyl-6-oxo-5-(pyridin-3-ylamino)pyridazin-3-yl]-2-methylbenzoic acid
CID 69139320
propanoyloxymethyl 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate
CID 68897361
methyl 8-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)octanoate
CID 15125646
5-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]pyridine-2-carboxylic acid
CID 67108643
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 1-ethyl-6-oxo-5-(pyridin-3-ylamino)-3-thiophen-3-ylpyridazine-4-carboxylate
CID 68893655
acetyloxymethyl 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate
CID 11676167
cyclohexyloxycarbonyloxymethyl 1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carboxylate
CID 68893658
5-(4-cyanoanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbonitrile
CID 11348411
cyclohexyloxycarbonyloxymethyl 1-ethyl-6-oxo-5-(pyridin-3-ylamino)-3-thiophen-3-ylpyridazine-4-carboxylate
CID 68894674

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate?
The IUPAC name of methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate (CID 90916888) is methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate.
What is the SMILES notation for methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate?
The canonical SMILES for methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate is CCn1nc(-c2ccccc2)c(CCCC(=O)OC)c(Nc2cccnc2)c1=O.
What is the InChIKey of methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate?
The InChIKey is BANAPZYPQUFUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-26-22(28)21(24-17-11-8-14-23-15-17)18(12-7-13-19(27)29-2)20(25-26)16-9-5-4-6-10-16/h4-6,8-11,14-15,24H,3,7,12-13H2,1-2H3.
What are the key properties of methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate?
methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate has a molecular weight of 392.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-ethyl-6-oxo-3-phenyl-5-(pyridin-3-ylamino)pyridazin-4-yl]butanoate is sourced from PubChem (CID 90916888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).