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

C17H19N3O4 — CID 119213268

IUPAC2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C17H19N3O4/c21-14-9-8-13(16(22)18-15(17(23)24)12-6-7-12)19-20(14)10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,18,22)(H,23,24)
InChIKeyRDAUNGVWPBEYOZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.14
Rot. Bonds6

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

2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid (PubChem CID 119213268) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid
PubChem CID119213268
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C17H19N3O4/c21-14-9-8-13(16(22)18-15(17(23)24)12-6-7-12)19-20(14)10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,18,22)(H,23,24)
InChIKeyRDAUNGVWPBEYOZ-UHFFFAOYSA-N
XLogP1.14
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid
CID 119211584
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 120701993
1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide
CID 78879861
1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 86941799
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-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 136578607
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741600
1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741614
1-benzyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]-4,5-dihydropyridazine-3-carboxamide
CID 86993326
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-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55750017

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid (CID 119213268) is 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid is O=C(NC(C(=O)O)C1CC1)C1=NN(Cc2ccccc2)C(=O)CC1.
What is the InChIKey of 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid?
The InChIKey is RDAUNGVWPBEYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-14-9-8-13(16(22)18-15(17(23)24)12-6-7-12)19-20(14)10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,18,22)(H,23,24).
What are the key properties of 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid?
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid has a molecular weight of 329.36 g/mol, XLogP of 1.14, 6 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]-2-cyclopropylacetic acid is sourced from PubChem (CID 119213268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).