3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid

C16H17N3O5 — CID 119219316

IUPAC3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid
SMILESCOCCn1nc(C(=O)Nc2cc(C(=O)O)ccc2C)ccc1=O
InChIInChI=1S/C16H17N3O5/c1-10-3-4-11(16(22)23)9-13(10)17-15(21)12-5-6-14(20)19(18-12)7-8-24-2/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,22,23)
InChIKeyNUZZMAXULXQORK-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.15
Rot. Bonds6

About 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid

3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid (PubChem CID 119219316) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid
PubChem CID119219316
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid
SMILESCOCCn1nc(C(=O)Nc2cc(C(=O)O)ccc2C)ccc1=O
InChIInChI=1S/C16H17N3O5/c1-10-3-4-11(16(22)23)9-13(10)17-15(21)12-5-6-14(20)19(18-12)7-8-24-2/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,22,23)
InChIKeyNUZZMAXULXQORK-UHFFFAOYSA-N
XLogP1.15
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide
CID 78927868
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 66172187
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636
N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide
CID 37349424
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid (CID 119219316) is 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid is COCCn1nc(C(=O)Nc2cc(C(=O)O)ccc2C)ccc1=O.
What is the InChIKey of 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid?
The InChIKey is NUZZMAXULXQORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-10-3-4-11(16(22)23)9-13(10)17-15(21)12-5-6-14(20)19(18-12)7-8-24-2/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,22,23).
What are the key properties of 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid?
3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid has a molecular weight of 331.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 119219316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).