[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate

C22H22ClN3O5 — CID 39808228

IUPAC[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)ccc1=O
InChIInChI=1S/C22H22ClN3O5/c1-2-3-12-26-21(28)11-9-18(25-26)22(29)30-14-20(27)24-13-17-8-10-19(31-17)15-4-6-16(23)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,24,27)
InChIKeyLSXMQVYBXPHQKK-UHFFFAOYSA-N
MW443.89 g/mol
LogP3.43
Rot. Bonds9

About [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate

[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate (PubChem CID 39808228) has the molecular formula C22H22ClN3O5 and a molecular weight of 443.89 g/mol. Its IUPAC name is [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
PubChem CID39808228
Molecular FormulaC22H22ClN3O5
Molecular Weight443.89 g/mol
Exact Mass443.12
IUPAC Name[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)ccc1=O
InChIInChI=1S/C22H22ClN3O5/c1-2-3-12-26-21(28)11-9-18(25-26)22(29)30-14-20(27)24-13-17-8-10-19(31-17)15-4-6-16(23)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,24,27)
InChIKeyLSXMQVYBXPHQKK-UHFFFAOYSA-N
XLogP3.43
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate with MolForge

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Related Compounds

[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate
CID 26985367
[2-(4-acetamidoanilino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 30682315
[2-(cyclopentylamino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18080240
[2-(butylamino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 2645322
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18081052
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55366521
ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate
CID 43025865
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 32799796
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18084954
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55540936
[2-(4-butylphenyl)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 55310829
2-[4-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 55381607

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate (CID 39808228) is [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate is CCCCn1nc(C(=O)OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)ccc1=O.
What is the InChIKey of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The InChIKey is LSXMQVYBXPHQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5/c1-2-3-12-26-21(28)11-9-18(25-26)22(29)30-14-20(27)24-13-17-8-10-19(31-17)15-4-6-16(23)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,24,27).
What are the key properties of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate has a molecular weight of 443.89 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 39808228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).