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

C17H19N3O4 — CID 120528938

IUPAC5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid
SMILESCCc1n[nH]c(=O)c(C(=O)Nc2ccc(C)c(C(=O)O)c2)c1CC
InChIInChI=1S/C17H19N3O4/c1-4-11-13(5-2)19-20-16(22)14(11)15(21)18-10-7-6-9(3)12(8-10)17(23)24/h6-8H,4-5H2,1-3H3,(H,18,21)(H,20,22)(H,23,24)
InChIKeyNILYWSOMGZAXQD-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.15
Rot. Bonds5

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

5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 120528938) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid
PubChem CID120528938
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid
SMILESCCc1n[nH]c(=O)c(C(=O)Nc2ccc(C)c(C(=O)O)c2)c1CC
InChIInChI=1S/C17H19N3O4/c1-4-11-13(5-2)19-20-16(22)14(11)15(21)18-10-7-6-9(3)12(8-10)17(23)24/h6-8H,4-5H2,1-3H3,(H,18,21)(H,20,22)(H,23,24)
InChIKeyNILYWSOMGZAXQD-UHFFFAOYSA-N
XLogP2.15
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid
CID 63654718
5-[[2-(ethylamino)acetyl]amino]-2-methylbenzoic acid
CID 63653512
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 120525163
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
5-[(2-acetamidoacetyl)amino]-2-methylbenzoic acid
CID 63653680
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
CID 63652253
5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 120552216
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid (CID 120528938) is 5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid is CCc1n[nH]c(=O)c(C(=O)Nc2ccc(C)c(C(=O)O)c2)c1CC.
What is the InChIKey of 5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is NILYWSOMGZAXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-4-11-13(5-2)19-20-16(22)14(11)15(21)18-10-7-6-9(3)12(8-10)17(23)24/h6-8H,4-5H2,1-3H3,(H,18,21)(H,20,22)(H,23,24).
What are the key properties of 5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid?
5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid has a molecular weight of 329.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 120528938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).