N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide

C11H13N5O3 — CID 79905237

IUPACN-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CC(=O)N(C)C2=O)nn1
InChIInChI=1S/C11H13N5O3/c1-12-10(18)6-3-4-8(15-14-6)13-7-5-9(17)16(2)11(7)19/h3-4,7H,5H2,1-2H3,(H,12,18)(H,13,15)
InChIKeyJLSYRRLTQUYXHZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.99
Rot. Bonds3

About N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide

N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide (PubChem CID 79905237) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide
PubChem CID79905237
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC NameN-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CC(=O)N(C)C2=O)nn1
InChIInChI=1S/C11H13N5O3/c1-12-10(18)6-3-4-8(15-14-6)13-7-5-9(17)16(2)11(7)19/h3-4,7H,5H2,1-2H3,(H,12,18)(H,13,15)
InChIKeyJLSYRRLTQUYXHZ-UHFFFAOYSA-N
XLogP-0.99
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide (CID 79905237) is N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide is CNC(=O)c1ccc(NC2CC(=O)N(C)C2=O)nn1.
What is the InChIKey of N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide?
The InChIKey is JLSYRRLTQUYXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-12-10(18)6-3-4-8(15-14-6)13-7-5-9(17)16(2)11(7)19/h3-4,7H,5H2,1-2H3,(H,12,18)(H,13,15).
What are the key properties of N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide?
N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide has a molecular weight of 263.26 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 79905237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).