3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid

C14H15N3O4 — CID 43351344

IUPAC3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)C1=NNC(=O)CC1)c1ccccc1
InChIInChI=1S/C14H15N3O4/c18-12-7-6-10(16-17-12)14(21)15-11(8-13(19)20)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,15,21)(H,17,18)(H,19,20)
InChIKeyNVORTWVYAYOKGN-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.58
Rot. Bonds5

About 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid

3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 43351344) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID43351344
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)C1=NNC(=O)CC1)c1ccccc1
InChIInChI=1S/C14H15N3O4/c18-12-7-6-10(16-17-12)14(21)15-11(8-13(19)20)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,15,21)(H,17,18)(H,19,20)
InChIKeyNVORTWVYAYOKGN-UHFFFAOYSA-N
XLogP0.58
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 51078597
N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63260416
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7520307
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-benzamido-3-phenylpropanoic acid
CID 2834576
6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397582
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60776217
1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38041767
3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110757174
N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43398155

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid (CID 43351344) is 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid is O=C(O)CC(NC(=O)C1=NNC(=O)CC1)c1ccccc1.
What is the InChIKey of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is NVORTWVYAYOKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-12-7-6-10(16-17-12)14(21)15-11(8-13(19)20)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,15,21)(H,17,18)(H,19,20).
What are the key properties of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid?
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 289.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 43351344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).