1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide

C21H20N4O4 — CID 27451050

IUPAC1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)Cn1nc(C(=O)Nc2ccccc2)ccc1=O
InChIInChI=1S/C21H20N4O4/c1-29-18-10-6-5-7-15(18)13-22-19(26)14-25-20(27)12-11-17(24-25)21(28)23-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,22,26)(H,23,28)
InChIKeyPQSDQPYINWWKNK-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.82
Rot. Bonds7

About 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide

1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide (PubChem CID 27451050) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
PubChem CID27451050
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)Cn1nc(C(=O)Nc2ccccc2)ccc1=O
InChIInChI=1S/C21H20N4O4/c1-29-18-10-6-5-7-15(18)13-22-19(26)14-25-20(27)12-11-17(24-25)21(28)23-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,22,26)(H,23,28)
InChIKeyPQSDQPYINWWKNK-UHFFFAOYSA-N
XLogP1.82
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247653
1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 27376568
N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
CID 53371201
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
N-(3,4-dimethylphenyl)-1-[2-(3-methoxyanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248044
N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 126462403
N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 41376649
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 43445280
ethyl 4-[2-[6-oxo-3-(phenylcarbamoyl)pyridazin-1-yl]acetyl]piperazine-1-carboxylate
CID 41247675
1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 26845028
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 27443516
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60565821

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide (CID 27451050) is 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide is COc1ccccc1CNC(=O)Cn1nc(C(=O)Nc2ccccc2)ccc1=O.
What is the InChIKey of 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The InChIKey is PQSDQPYINWWKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-29-18-10-6-5-7-15(18)13-22-19(26)14-25-20(27)12-11-17(24-25)21(28)23-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,22,26)(H,23,28).
What are the key properties of 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 27451050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).