methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate

C22H22N4O3 — CID 109129968

IUPACmethyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate
SMILESCCN(c1cccc(C)c1)c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)nn1
InChIInChI=1S/C22H22N4O3/c1-4-26(18-10-5-7-15(2)13-18)20-12-11-19(24-25-20)21(27)23-17-9-6-8-16(14-17)22(28)29-3/h5-14H,4H2,1-3H3,(H,23,27)
InChIKeyGMZUWIGBGVOCKC-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.98
Rot. Bonds6

About methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate

methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate (PubChem CID 109129968) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate
PubChem CID109129968
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Namemethyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate
SMILESCCN(c1cccc(C)c1)c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)nn1
InChIInChI=1S/C22H22N4O3/c1-4-26(18-10-5-7-15(2)13-18)20-12-11-19(24-25-20)21(27)23-17-9-6-8-16(14-17)22(28)29-3/h5-14H,4H2,1-3H3,(H,23,27)
InChIKeyGMZUWIGBGVOCKC-UHFFFAOYSA-N
XLogP3.98
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide
CID 109124947
6-(N-ethyl-3-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110572
6-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120151
methyl 3-[[6-(2,5-dimethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127592
N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318199
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113051420
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113022970
methyl 4-[[5-(N-ethyl-3-methylanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112968768
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
ethyl 4-[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123908
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate (CID 109129968) is methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate is CCN(c1cccc(C)c1)c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)nn1.
What is the InChIKey of methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate?
The InChIKey is GMZUWIGBGVOCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-4-26(18-10-5-7-15(2)13-18)20-12-11-19(24-25-20)21(27)23-17-9-6-8-16(14-17)22(28)29-3/h5-14H,4H2,1-3H3,(H,23,27).
What are the key properties of methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate?
methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate has a molecular weight of 390.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109129968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).