ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane

C26H37N3O4 — CID 143462893

IUPACethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane
SMILESC=O.CC.CCN(C)c1cc(-c2cccc(OC)c2)nn(-c2ccccc2C)c1=O.COC
InChIInChI=1S/C21H23N3O2.C2H6O.C2H6.CH2O/c1-5-23(3)20-14-18(16-10-8-11-17(13-16)26-4)22-24(21(20)25)19-12-7-6-9-15(19)2;1-3-2;2*1-2/h6-14H,5H2,1-4H3;1-2H3;1-2H3;1H2
InChIKeyNBNSEQARSWKVDL-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.78
Rot. Bonds5

About ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane

ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane (PubChem CID 143462893) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane.

Molecular Properties

Compound Nameethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane
PubChem CID143462893
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Nameethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane
SMILESC=O.CC.CCN(C)c1cc(-c2cccc(OC)c2)nn(-c2ccccc2C)c1=O.COC
InChIInChI=1S/C21H23N3O2.C2H6O.C2H6.CH2O/c1-5-23(3)20-14-18(16-10-8-11-17(13-16)26-4)22-24(21(20)25)19-12-7-6-9-15(19)2;1-3-2;2*1-2/h6-14H,5H2,1-4H3;1-2H3;1-2H3;1H2
InChIKeyNBNSEQARSWKVDL-UHFFFAOYSA-N
XLogP4.78
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
CID 69160001
2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
CID 69162233
4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-[2-nitro-5-(1,3-thiazol-2-yl)phenyl]pyridazin-3-one
CID 69162212
2-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
CID 69162237
4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-[5-(4-methyl-3-oxopiperazin-1-yl)-2-nitrophenyl]pyridazin-3-one
CID 69160542
5-ethyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906425
2-[[6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)-3-oxopyridazin-4-yl]-methylamino]acetic acid
CID 69161797
4-[3-hydroxypropyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)pyridazin-3-one
CID 69161417
5-methoxy-2-[[1-(2-methylphenyl)-3-(3-methylphenyl)pyrazol-5-yl]amino]benzoic acid
CID 69276897
1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 42755570
2-(6-amino-2-chloro-3-piperidin-1-ylphenyl)-4-[chloro(ethyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
CID 143463021
4-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-6-phenylpyridazin-3-one;4-oxo-4-phenylbutanoic acid
CID 158627474

Frequently Asked Questions

What is the IUPAC name of ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane?
The IUPAC name of ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane (CID 143462893) is ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane.
What is the SMILES notation for ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane?
The canonical SMILES for ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane is C=O.CC.CCN(C)c1cc(-c2cccc(OC)c2)nn(-c2ccccc2C)c1=O.COC.
What is the InChIKey of ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane?
The InChIKey is NBNSEQARSWKVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.C2H6O.C2H6.CH2O/c1-5-23(3)20-14-18(16-10-8-11-17(13-16)26-4)22-24(21(20)25)19-12-7-6-9-15(19)2;1-3-2;2*1-2/h6-14H,5H2,1-4H3;1-2H3;1-2H3;1H2.
What are the key properties of ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane?
ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane has a molecular weight of 455.60 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane is sourced from PubChem (CID 143462893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).