methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate

C19H24N4O3 — CID 109126263

IUPACmethyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1ccc(Nc2cccc(C(=O)OC)c2)nn1
InChIInChI=1S/C19H24N4O3/c1-4-11-23(12-5-2)18(24)16-9-10-17(22-21-16)20-15-8-6-7-14(13-15)19(25)26-3/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,22)
InChIKeyJCJCDFONCPPZOG-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.27
Rot. Bonds8

About methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate

methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate (PubChem CID 109126263) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate
PubChem CID109126263
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namemethyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1ccc(Nc2cccc(C(=O)OC)c2)nn1
InChIInChI=1S/C19H24N4O3/c1-4-11-23(12-5-2)18(24)16-9-10-17(22-21-16)20-15-8-6-7-14(13-15)19(25)26-3/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,22)
InChIKeyJCJCDFONCPPZOG-UHFFFAOYSA-N
XLogP3.27
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109124468
6-(3,4-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126254
6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126285
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109111297
methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240973
methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126698
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126266
methyl 3-[[6-[(4-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128785
methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090593

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate (CID 109126263) is methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate is CCCN(CCC)C(=O)c1ccc(Nc2cccc(C(=O)OC)c2)nn1.
What is the InChIKey of methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate?
The InChIKey is JCJCDFONCPPZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-11-23(12-5-2)18(24)16-9-10-17(22-21-16)20-15-8-6-7-14(13-15)19(25)26-3/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,22).
What are the key properties of methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate?
methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate has a molecular weight of 356.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109126263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).