3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid

C16H19N3O5 — CID 119196570

IUPAC3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(C(=O)O)cc1NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C16H19N3O5/c1-9(2)24-13-6-4-10(16(22)23)8-12(13)17-15(21)11-5-7-14(20)19(3)18-11/h4,6,8-9H,5,7H2,1-3H3,(H,17,21)(H,22,23)
InChIKeyLNEBCCYQAUQBRM-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.72
Rot. Bonds5

About 3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid

3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid (PubChem CID 119196570) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid
PubChem CID119196570
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(C(=O)O)cc1NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C16H19N3O5/c1-9(2)24-13-6-4-10(16(22)23)8-12(13)17-15(21)11-5-7-14(20)19(3)18-11/h4,6,8-9H,5,7H2,1-3H3,(H,17,21)(H,22,23)
InChIKeyLNEBCCYQAUQBRM-UHFFFAOYSA-N
XLogP1.72
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-hydroxy-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic acid
CID 60825037
3-fluoro-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic acid
CID 63190053
4-propan-2-yloxy-3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)benzoic acid
CID 119196623
4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid
CID 120517846
1-methyl-N-[4-(methylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24524831
N-(2,5-dimethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285275
3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196669
3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196243
2-methyl-2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 119254235
3-[[2-(3-methylbutylsulfanyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196463
(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 129467697
3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196260

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid (CID 119196570) is 3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid is CC(C)Oc1ccc(C(=O)O)cc1NC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
The InChIKey is LNEBCCYQAUQBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-9(2)24-13-6-4-10(16(22)23)8-12(13)17-15(21)11-5-7-14(20)19(3)18-11/h4,6,8-9H,5,7H2,1-3H3,(H,17,21)(H,22,23).
What are the key properties of 3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid?
3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 333.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 119196570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).