methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate

C18H19N3O4 — CID 122277941

IUPACmethyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCCn2nc(C3CC3)ccc2=O)cc1
InChIInChI=1S/C18H19N3O4/c1-25-18(24)14-6-4-13(5-7-14)17(23)19-10-11-21-16(22)9-8-15(20-21)12-2-3-12/h4-9,12H,2-3,10-11H2,1H3,(H,19,23)
InChIKeyUDCHEJQDNYGYLL-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.34
Rot. Bonds6

About methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate

methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate (PubChem CID 122277941) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate
PubChem CID122277941
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCCn2nc(C3CC3)ccc2=O)cc1
InChIInChI=1S/C18H19N3O4/c1-25-18(24)14-6-4-13(5-7-14)17(23)19-10-11-21-16(22)9-8-15(20-21)12-2-3-12/h4-9,12H,2-3,10-11H2,1H3,(H,19,23)
InChIKeyUDCHEJQDNYGYLL-UHFFFAOYSA-N
XLogP1.34
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate with MolForge

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 122277924
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122278048
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277848
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 122278178
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 122278053
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-pyrazol-1-ylbenzamide
CID 122246324
1-cyclopentyl-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278186
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide
CID 122278049
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate?
The IUPAC name of methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate (CID 122277941) is methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate.
What is the SMILES notation for methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate?
The canonical SMILES for methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate is COC(=O)c1ccc(C(=O)NCCn2nc(C3CC3)ccc2=O)cc1.
What is the InChIKey of methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate?
The InChIKey is UDCHEJQDNYGYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-18(24)14-6-4-13(5-7-14)17(23)19-10-11-21-16(22)9-8-15(20-21)12-2-3-12/h4-9,12H,2-3,10-11H2,1H3,(H,19,23).
What are the key properties of methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate?
methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate has a molecular weight of 341.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate is sourced from PubChem (CID 122277941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).