1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C12H20N4O3 — CID 31012301

IUPAC1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H20N4O3/c1-8(2)11(18)13-6-7-14-12(19)9-4-5-10(17)16(3)15-9/h8H,4-7H2,1-3H3,(H,13,18)(H,14,19)
InChIKeyYGQNCEAERMNVEI-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.52
Rot. Bonds5

About 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 31012301) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID31012301
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C12H20N4O3/c1-8(2)11(18)13-6-7-14-12(19)9-4-5-10(17)16(3)15-9/h8H,4-7H2,1-3H3,(H,13,18)(H,14,19)
InChIKeyYGQNCEAERMNVEI-UHFFFAOYSA-N
XLogP-0.52
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 31012301) is 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(C)C(=O)NCCNC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is YGQNCEAERMNVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(2)11(18)13-6-7-14-12(19)9-4-5-10(17)16(3)15-9/h8H,4-7H2,1-3H3,(H,13,18)(H,14,19).
What are the key properties of 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 31012301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).