1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide

C23H24N4O4 — CID 26845095

IUPAC1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)Cn1nc(C(=O)Nc2ccc(C)cc2)ccc1=O
InChIInChI=1S/C23H24N4O4/c1-16-7-9-18(10-8-16)25-23(30)19-11-12-22(29)27(26-19)15-21(28)24-14-13-17-5-3-4-6-20(17)31-2/h3-12H,13-15H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyKQFYADLFUDFXBM-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.17
Rot. Bonds8

About 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide

1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 26845095) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID26845095
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)Cn1nc(C(=O)Nc2ccc(C)cc2)ccc1=O
InChIInChI=1S/C23H24N4O4/c1-16-7-9-18(10-8-16)25-23(30)19-11-12-22(29)27(26-19)15-21(28)24-14-13-17-5-3-4-6-20(17)31-2/h3-12H,13-15H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyKQFYADLFUDFXBM-UHFFFAOYSA-N
XLogP2.17
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 26845095) is 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide is COc1ccccc1CCNC(=O)Cn1nc(C(=O)Nc2ccc(C)cc2)ccc1=O.
What is the InChIKey of 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is KQFYADLFUDFXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-16-7-9-18(10-8-16)25-23(30)19-11-12-22(29)27(26-19)15-21(28)24-14-13-17-5-3-4-6-20(17)31-2/h3-12H,13-15H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26845095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).