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

C19H23N3O4 — CID 120525163

IUPAC2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
SMILESCCc1n[nH]c(=O)c(C(=O)NCC(Cc2ccccc2)C(=O)O)c1CC
InChIInChI=1S/C19H23N3O4/c1-3-14-15(4-2)21-22-18(24)16(14)17(23)20-11-13(19(25)26)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,20,23)(H,22,24)(H,25,26)
InChIKeyVCRGHBGUZPOHKZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.57
Rot. Bonds8

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

2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid (PubChem CID 120525163) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
PubChem CID120525163
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
SMILESCCc1n[nH]c(=O)c(C(=O)NCC(Cc2ccccc2)C(=O)O)c1CC
InChIInChI=1S/C19H23N3O4/c1-3-14-15(4-2)21-22-18(24)16(14)17(23)20-11-13(19(25)26)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,20,23)(H,22,24)(H,25,26)
InChIKeyVCRGHBGUZPOHKZ-UHFFFAOYSA-N
XLogP1.57
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 120528574
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 119233951
4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid
CID 119352743
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 71755942
2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638
2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605
2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 75495598
3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide
CID 97065230
2-benzyl-3-[(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119233443
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 119233619
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119233563

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid (CID 120525163) is 2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid is CCc1n[nH]c(=O)c(C(=O)NCC(Cc2ccccc2)C(=O)O)c1CC.
What is the InChIKey of 2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The InChIKey is VCRGHBGUZPOHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-3-14-15(4-2)21-22-18(24)16(14)17(23)20-11-13(19(25)26)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,20,23)(H,22,24)(H,25,26).
What are the key properties of 2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid has a molecular weight of 357.41 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120525163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).