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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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).