2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide

C23H24N4O3 — CID 50813225

IUPAC2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)cc1
InChIInChI=1S/C23H24N4O3/c1-15(2)22(29)25-20-13-19(17-7-5-4-6-8-17)26-27(23(20)30)14-21(28)24-18-11-9-16(3)10-12-18/h4-13,15H,14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyFLSBVWZUGUBMCY-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.45
Rot. Bonds6

About 2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide

2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide (PubChem CID 50813225) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
PubChem CID50813225
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)cc1
InChIInChI=1S/C23H24N4O3/c1-15(2)22(29)25-20-13-19(17-7-5-4-6-8-17)26-27(23(20)30)14-21(28)24-18-11-9-16(3)10-12-18/h4-13,15H,14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyFLSBVWZUGUBMCY-UHFFFAOYSA-N
XLogP3.45
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide (CID 50813225) is 2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide is Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)cc1.
What is the InChIKey of 2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide?
The InChIKey is FLSBVWZUGUBMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15(2)22(29)25-20-13-19(17-7-5-4-6-8-17)26-27(23(20)30)14-21(28)24-18-11-9-16(3)10-12-18/h4-13,15H,14H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide?
2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide has a molecular weight of 404.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide is sourced from PubChem (CID 50813225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).