1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide

C22H22N4O5 — CID 55429869

IUPAC1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)ccc1=O
InChIInChI=1S/C22H22N4O5/c1-30-13-12-26-20(27)11-10-19(25-26)22(29)24-18-9-4-3-8-17(18)21(28)23-15-6-5-7-16(14-15)31-2/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyYXIJKAIKUSDIKZ-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.40
Rot. Bonds8

About 1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide

1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 55429869) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID55429869
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)ccc1=O
InChIInChI=1S/C22H22N4O5/c1-30-13-12-26-20(27)11-10-19(25-26)22(29)24-18-9-4-3-8-17(18)21(28)23-15-6-5-7-16(14-15)31-2/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyYXIJKAIKUSDIKZ-UHFFFAOYSA-N
XLogP2.40
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 24677650
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
CID 46410564
N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46636276
N-(3,4-dimethylphenyl)-1-[2-(3-methoxyanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248044
1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 38713115
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 34870934
4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
CID 51257940

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide (CID 55429869) is 1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is YXIJKAIKUSDIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-30-13-12-26-20(27)11-10-19(25-26)22(29)24-18-9-4-3-8-17(18)21(28)23-15-6-5-7-16(14-15)31-2/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of 1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55429869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).