[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate

C24H26N4O6 — CID 30563601

IUPAC[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCc2ccc(COC(=O)c3ccc(=O)n(CCC)n3)cc2)ccc1=O
InChIInChI=1S/C24H26N4O6/c1-3-13-27-21(29)11-9-19(25-27)23(31)33-15-17-5-7-18(8-6-17)16-34-24(32)20-10-12-22(30)28(26-20)14-4-2/h5-12H,3-4,13-16H2,1-2H3
InChIKeyKQPHAGIIKPMXPI-UHFFFAOYSA-N
MW466.49 g/mol
LogP2.33
Rot. Bonds10

About [4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate

[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 30563601) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is [4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

Compound Name[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
PubChem CID30563601
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Name[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCc2ccc(COC(=O)c3ccc(=O)n(CCC)n3)cc2)ccc1=O
InChIInChI=1S/C24H26N4O6/c1-3-13-27-21(29)11-9-19(25-27)23(31)33-15-17-5-7-18(8-6-17)16-34-24(32)20-10-12-22(30)28(26-20)14-4-2/h5-12H,3-4,13-16H2,1-2H3
InChIKeyKQPHAGIIKPMXPI-UHFFFAOYSA-N
XLogP2.33
TPSA122.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate with MolForge

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080249
(4-carbamoylphenyl)methyl 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734963
(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080248
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 18283740
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080743
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
CID 63913396
[2-(4-butylphenyl)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 55310829
2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 47584978
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18201993
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 16581254
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702

Frequently Asked Questions

What is the IUPAC name of [4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The IUPAC name of [4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate (CID 30563601) is [4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate.
What is the SMILES notation for [4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The canonical SMILES for [4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate is CCCn1nc(C(=O)OCc2ccc(COC(=O)c3ccc(=O)n(CCC)n3)cc2)ccc1=O.
What is the InChIKey of [4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The InChIKey is KQPHAGIIKPMXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6/c1-3-13-27-21(29)11-9-19(25-27)23(31)33-15-17-5-7-18(8-6-17)16-34-24(32)20-10-12-22(30)28(26-20)14-4-2/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of [4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate?
[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 466.49 g/mol, XLogP of 2.33, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 30563601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).