(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate

C16H17N3O4 — CID 18080248

IUPAC(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCC(=O)Nc2ccccc2)ccc1=O
InChIInChI=1S/C16H17N3O4/c1-2-10-19-15(21)9-8-13(18-19)16(22)23-11-14(20)17-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,17,20)
InChIKeyYKGKUCYAWWUYFA-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.45
Rot. Bonds6

About (2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate

(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 18080248) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate
PubChem CID18080248
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCC(=O)Nc2ccccc2)ccc1=O
InChIInChI=1S/C16H17N3O4/c1-2-10-19-15(21)9-8-13(18-19)16(22)23-11-14(20)17-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,17,20)
InChIKeyYKGKUCYAWWUYFA-UHFFFAOYSA-N
XLogP1.45
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 30682315
[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 16610854
[2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 30696795
[2-(4-methylanilino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 29313682
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18197054
[2-(4-chloroanilino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 8891681
[2-(4-tert-butylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 27426793
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18081052
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080824
[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18104073
[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 30394191
[2-(cyclopentylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080249

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate (CID 18080248) is (2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate is CCCn1nc(C(=O)OCC(=O)Nc2ccccc2)ccc1=O.
What is the InChIKey of (2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate?
The InChIKey is YKGKUCYAWWUYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-2-10-19-15(21)9-8-13(18-19)16(22)23-11-14(20)17-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,17,20).
What are the key properties of (2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate?
(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 18080248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).