3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid

C22H21N3O5 — CID 108790658

IUPAC3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O)C(=O)O
InChIInChI=1S/C22H21N3O5/c1-13(26)18(22(29)30)23-20(27)17-16(14-9-5-3-6-10-14)19(24-25(2)21(17)28)15-11-7-4-8-12-15/h3-13,18,26H,1-2H3,(H,23,27)(H,29,30)
InChIKeyYNELRFKLMUTSCX-UHFFFAOYSA-N
MW407.43 g/mol
LogP1.68
Rot. Bonds6

About 3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid

3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid (PubChem CID 108790658) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid
PubChem CID108790658
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O)C(=O)O
InChIInChI=1S/C22H21N3O5/c1-13(26)18(22(29)30)23-20(27)17-16(14-9-5-3-6-10-14)19(24-25(2)21(17)28)15-11-7-4-8-12-15/h3-13,18,26H,1-2H3,(H,23,27)(H,29,30)
InChIKeyYNELRFKLMUTSCX-UHFFFAOYSA-N
XLogP1.68
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790558
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637
2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide
CID 108790644
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
CID 108803402
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803336
N-(4-hydroxy-2-methylphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790593
2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108727347
2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide
CID 108790601

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid (CID 108790658) is 3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid is CC(O)C(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid?
The InChIKey is YNELRFKLMUTSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-13(26)18(22(29)30)23-20(27)17-16(14-9-5-3-6-10-14)19(24-25(2)21(17)28)15-11-7-4-8-12-15/h3-13,18,26H,1-2H3,(H,23,27)(H,29,30).
What are the key properties of 3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid has a molecular weight of 407.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 108790658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).