[2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

C12H19N3O4 — CID 4545690

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCCCC(C)NC(=O)COC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H19N3O4/c1-3-4-8(2)13-11(17)7-19-12(18)9-5-6-10(16)15-14-9/h8H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyOTMSILMPTNWTDD-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.10
Rot. Bonds6

About [2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

[2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 4545690) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID4545690
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCCCC(C)NC(=O)COC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H19N3O4/c1-3-4-8(2)13-11(17)7-19-12(18)9-5-6-10(16)15-14-9/h8H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyOTMSILMPTNWTDD-UHFFFAOYSA-N
XLogP0.10
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7520307
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203249
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211228
[2-(3,4-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203166
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2549602
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 4991225
[2-oxo-2-(2-phenylanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7194941
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 5029985
[2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 39866549
[2-oxo-2-(2-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203184
[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7486978
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 4545690) is [2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is CCCC(C)NC(=O)COC(=O)C1=NNC(=O)CC1.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is OTMSILMPTNWTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-4-8(2)13-11(17)7-19-12(18)9-5-6-10(16)15-14-9/h8H,3-7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 4545690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).