[1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate

C13H19N3O4 — CID 55734820

IUPAC[1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
SMILESCC(C)CNC(=O)C(C)OC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C13H19N3O4/c1-8(2)7-14-12(18)9(3)20-13(19)10-5-6-11(17)16(4)15-10/h5-6,8-9H,7H2,1-4H3,(H,14,18)
InChIKeyAZCPDDGEZKOYGS-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.10
Rot. Bonds5

About [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate

[1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate (PubChem CID 55734820) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name[1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
PubChem CID55734820
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name[1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
SMILESCC(C)CNC(=O)C(C)OC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C13H19N3O4/c1-8(2)7-14-12(18)9(3)20-13(19)10-5-6-11(17)16(4)15-10/h5-6,8-9H,7H2,1-4H3,(H,14,18)
InChIKeyAZCPDDGEZKOYGS-UHFFFAOYSA-N
XLogP0.10
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-O-[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 6-O-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 8884003
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55999201
[1-(N-methylanilino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734895
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8958909
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310472
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8994629
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734799
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 46619427
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382244
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate (CID 55734820) is [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate is CC(C)CNC(=O)C(C)OC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate?
The InChIKey is AZCPDDGEZKOYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(2)7-14-12(18)9(3)20-13(19)10-5-6-11(17)16(4)15-10/h5-6,8-9H,7H2,1-4H3,(H,14,18).
What are the key properties of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate?
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 55734820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).