4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

C22H20N4O3 — CID 108809187

IUPAC4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)NCCn3ccc4ccccc43)c(O)cc2=O)c1
InChIInChI=1S/C22H20N4O3/c1-15-5-4-7-17(13-15)26-20(28)14-19(27)21(24-26)22(29)23-10-12-25-11-9-16-6-2-3-8-18(16)25/h2-9,11,13-14,27H,10,12H2,1H3,(H,23,29)
InChIKeyCIDWUTOKXIHVIY-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.63
Rot. Bonds5

About 4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 108809187) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID108809187
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)NCCn3ccc4ccccc43)c(O)cc2=O)c1
InChIInChI=1S/C22H20N4O3/c1-15-5-4-7-17(13-15)26-20(28)14-19(27)21(24-26)22(29)23-10-12-25-11-9-16-6-2-3-8-18(16)25/h2-9,11,13-14,27H,10,12H2,1H3,(H,23,29)
InChIKeyCIDWUTOKXIHVIY-UHFFFAOYSA-N
XLogP2.63
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785145
N-(3-butoxypropyl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784989
2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
CID 108785094
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784993
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 108784965
2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]pentanedioic acid
CID 108785089
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108798395
N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 71705958
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 108785020
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 108798228
2-hydroxy-5-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798252
1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide
CID 55581931

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 108809187) is 4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)NCCn3ccc4ccccc43)c(O)cc2=O)c1.
What is the InChIKey of 4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is CIDWUTOKXIHVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15-5-4-7-17(13-15)26-20(28)14-19(27)21(24-26)22(29)23-10-12-25-11-9-16-6-2-3-8-18(16)25/h2-9,11,13-14,27H,10,12H2,1H3,(H,23,29).
What are the key properties of 4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108809187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).