2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid

C18H23N3O4 — CID 119211584

IUPAC2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C(=O)O
InChIInChI=1S/C18H23N3O4/c1-3-12(2)16(18(24)25)19-17(23)14-9-10-15(22)21(20-14)11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,19,23)(H,24,25)
InChIKeyZQXZBGBHUYTKQI-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.78
Rot. Bonds7

About 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid

2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 119211584) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid
PubChem CID119211584
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C(=O)O
InChIInChI=1S/C18H23N3O4/c1-3-12(2)16(18(24)25)19-17(23)14-9-10-15(22)21(20-14)11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,19,23)(H,24,25)
InChIKeyZQXZBGBHUYTKQI-UHFFFAOYSA-N
XLogP1.78
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 120701993
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid
CID 119213268
1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55738993
1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60555152
1-benzyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51953298
1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide
CID 78879861
3-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237029
1-[(4-fluorophenyl)methyl]-6-oxo-N-(2-propan-2-yloxyphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 55777519
1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 136578607
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)pentanoic acid
CID 103790711

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid (CID 119211584) is 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C(=O)O.
What is the InChIKey of 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is ZQXZBGBHUYTKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-12(2)16(18(24)25)19-17(23)14-9-10-15(22)21(20-14)11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,19,23)(H,24,25).
What are the key properties of 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid?
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 345.40 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 119211584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).