2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid

C21H19N3O4 — CID 108803564

IUPAC2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
SMILESCC(C)(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O)C(=O)O
InChIInChI=1S/C21H19N3O4/c1-21(2,20(27)28)22-18(25)16-15(13-9-5-3-6-10-13)17(23-24-19(16)26)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,22,25)(H,24,26)(H,27,28)
InChIKeyGRVJRPZVEARQHS-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.70
Rot. Bonds5

About 2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid

2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid (PubChem CID 108803564) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
PubChem CID108803564
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
SMILESCC(C)(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O)C(=O)O
InChIInChI=1S/C21H19N3O4/c1-21(2,20(27)28)22-18(25)16-15(13-9-5-3-6-10-13)17(23-24-19(16)26)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,22,25)(H,24,26)(H,27,28)
InChIKeyGRVJRPZVEARQHS-UHFFFAOYSA-N
XLogP2.70
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid (CID 108803564) is 2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid is CC(C)(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O)C(=O)O.
What is the InChIKey of 2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The InChIKey is GRVJRPZVEARQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-21(2,20(27)28)22-18(25)16-15(13-9-5-3-6-10-13)17(23-24-19(16)26)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,22,25)(H,24,26)(H,27,28).
What are the key properties of 2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid?
2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid has a molecular weight of 377.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 108803564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).