[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate

C19H23N3O6 — CID 18080743

IUPAC[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)ccc1=O
InChIInChI=1S/C19H23N3O6/c1-4-9-22-18(24)8-6-14(21-22)19(25)28-12-17(23)20-11-13-5-7-15(26-2)16(10-13)27-3/h5-8,10H,4,9,11-12H2,1-3H3,(H,20,23)
InChIKeyOWJZOPVBMXEQPL-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.14
Rot. Bonds9

About [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate

[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 18080743) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
PubChem CID18080743
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)ccc1=O
InChIInChI=1S/C19H23N3O6/c1-4-9-22-18(24)8-6-14(21-22)19(25)28-12-17(23)20-11-13-5-7-15(26-2)16(10-13)27-3/h5-8,10H,4,9,11-12H2,1-3H3,(H,20,23)
InChIKeyOWJZOPVBMXEQPL-UHFFFAOYSA-N
XLogP1.14
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 46440883
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32615736
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566071
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128
[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 30563601
(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080248
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484869
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766111
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-methylpentanoate
CID 2372721
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18091621
N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide
CID 55332644
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7523020

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
The IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate (CID 18080743) is [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate.
What is the SMILES notation for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
The canonical SMILES for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate is CCCn1nc(C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)ccc1=O.
What is the InChIKey of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
The InChIKey is OWJZOPVBMXEQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-4-9-22-18(24)8-6-14(21-22)19(25)28-12-17(23)20-11-13-5-7-15(26-2)16(10-13)27-3/h5-8,10H,4,9,11-12H2,1-3H3,(H,20,23).
What are the key properties of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 1.14, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 18080743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).