N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide

C20H18N4O5 — CID 108798547

IUPACN-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)NCc2ccc(C(N)=O)cc2)c(O)cc1=O
InChIInChI=1S/C20H18N4O5/c1-29-16-5-3-2-4-14(16)24-17(26)10-15(25)18(23-24)20(28)22-11-12-6-8-13(9-7-12)19(21)27/h2-10,25H,11H2,1H3,(H2,21,27)(H,22,28)
InChIKeyROJXHHGXYMYZGP-UHFFFAOYSA-N
MW394.39 g/mol
LogP0.98
Rot. Bonds6

About N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide

N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 108798547) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID108798547
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC NameN-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)NCc2ccc(C(N)=O)cc2)c(O)cc1=O
InChIInChI=1S/C20H18N4O5/c1-29-16-5-3-2-4-14(16)24-17(26)10-15(25)18(23-24)20(28)22-11-12-6-8-13(9-7-12)19(21)27/h2-10,25H,11H2,1H3,(H2,21,27)(H,22,28)
InChIKeyROJXHHGXYMYZGP-UHFFFAOYSA-N
XLogP0.98
TPSA136.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229
4-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798433
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453
N-[4-(diethylamino)butyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785323
N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785217
propyl 3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoate
CID 108798552
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785235
N-(2-acetylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798578
N-(3,4-dichlorophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785180

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide (CID 108798547) is N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide is COc1ccccc1-n1nc(C(=O)NCc2ccc(C(N)=O)cc2)c(O)cc1=O.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is ROJXHHGXYMYZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-29-16-5-3-2-4-14(16)24-17(26)10-15(25)18(23-24)20(28)22-11-12-6-8-13(9-7-12)19(21)27/h2-10,25H,11H2,1H3,(H2,21,27)(H,22,28).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108798547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).