2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid

C18H23N3O5 — CID 119188801

IUPAC2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1
InChIInChI=1S/C18H23N3O5/c1-12-4-5-13(2)15(10-12)21-16(22)7-6-14(19-21)18(25)20(8-9-26-3)11-17(23)24/h4-5,10H,6-9,11H2,1-3H3,(H,23,24)
InChIKeyNLAWMBGEKRXRMF-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.35
Rot. Bonds7

About 2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid

2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119188801) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119188801
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1
InChIInChI=1S/C18H23N3O5/c1-12-4-5-13(2)15(10-12)21-16(22)7-6-14(19-21)18(25)20(8-9-26-3)11-17(23)24/h4-5,10H,6-9,11H2,1-3H3,(H,23,24)
InChIKeyNLAWMBGEKRXRMF-UHFFFAOYSA-N
XLogP1.35
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-propylamino]acetic acid
CID 119204697
1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 24980012
1-(2,5-dimethylphenyl)-N-[2-(2-methylpropoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60532904
2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid
CID 119204717
1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55586186
1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 37363132
1-(2,5-dimethylphenyl)-N-[2-(3-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46433241
N-[(1S)-1-cyclopropylethyl]-1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 97005499
1-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78856979
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 8702036
1-(2,5-dimethylphenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55839935

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid (CID 119188801) is 2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1.
What is the InChIKey of 2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is NLAWMBGEKRXRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-12-4-5-13(2)15(10-12)21-16(22)7-6-14(19-21)18(25)20(8-9-26-3)11-17(23)24/h4-5,10H,6-9,11H2,1-3H3,(H,23,24).
What are the key properties of 2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid?
2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 361.40 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119188801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).