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

C15H17N3O5 — CID 119231693

IUPAC2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H17N3O5/c1-9-7-10(23-8-14(20)21)3-4-11(9)16-15(22)12-5-6-13(19)18(2)17-12/h3-4,7H,5-6,8H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyCSMNMUPDLKCEQI-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.01
Rot. Bonds5

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

2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid (PubChem CID 119231693) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid
PubChem CID119231693
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H17N3O5/c1-9-7-10(23-8-14(20)21)3-4-11(9)16-15(22)12-5-6-13(19)18(2)17-12/h3-4,7H,5-6,8H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyCSMNMUPDLKCEQI-UHFFFAOYSA-N
XLogP1.01
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30710454
3-hydroxy-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic acid
CID 60825037
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-3-methylphenoxy]acetic acid
CID 119231370
N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55947174
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55445766
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid
CID 120524856
2-[3-methyl-4-[[4-(pyrrolidin-1-ylamino)benzoyl]amino]phenoxy]acetic acid
CID 54409337
2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 43358512
2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid
CID 119231823
2-[4-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231781

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid (CID 119231693) is 2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid is Cc1cc(OCC(=O)O)ccc1NC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is CSMNMUPDLKCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-9-7-10(23-8-14(20)21)3-4-11(9)16-15(22)12-5-6-13(19)18(2)17-12/h3-4,7H,5-6,8H2,1-2H3,(H,16,22)(H,20,21).
What are the key properties of 2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid?
2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 319.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 119231693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).