6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide

C36H38N12O6 — CID 159063742

IUPAC6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide
SMILESCc1ccc(Nc2cc(OCCN)nnc2C(N)=O)nc1C.Cc1ccc(Nc2cc(OCCN3C(=O)c4ccccc4C3=O)nnc2C(N)=O)nc1C
InChIInChI=1S/C22H20N6O4.C14H18N6O2/c1-12-7-8-17(24-13(12)2)25-16-11-18(26-27-19(16)20(23)29)32-10-9-28-21(30)14-5-3-4-6-15(14)22(28)31;1-8-3-4-11(17-9(8)2)18-10-7-12(22-6-5-15)19-20-13(10)14(16)21/h3-8,11H,9-10H2,1-2H3,(H2,23,29)(H,24,25,26);3-4,7H,5-6,15H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeyJYUFVFKMZLTWFH-UHFFFAOYSA-N
MW734.78 g/mol
LogP2.67
Rot. Bonds13

About 6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide

6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide (PubChem CID 159063742) has the molecular formula C36H38N12O6 and a molecular weight of 734.78 g/mol. Its IUPAC name is 6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide
PubChem CID159063742
Molecular FormulaC36H38N12O6
Molecular Weight734.78 g/mol
Exact Mass734.30
IUPAC Name6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide
SMILESCc1ccc(Nc2cc(OCCN)nnc2C(N)=O)nc1C.Cc1ccc(Nc2cc(OCCN3C(=O)c4ccccc4C3=O)nnc2C(N)=O)nc1C
InChIInChI=1S/C22H20N6O4.C14H18N6O2/c1-12-7-8-17(24-13(12)2)25-16-11-18(26-27-19(16)20(23)29)32-10-9-28-21(30)14-5-3-4-6-15(14)22(28)31;1-8-3-4-11(17-9(8)2)18-10-7-12(22-6-5-15)19-20-13(10)14(16)21/h3-8,11H,9-10H2,1-2H3,(H2,23,29)(H,24,25,26);3-4,7H,5-6,15H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeyJYUFVFKMZLTWFH-UHFFFAOYSA-N
XLogP2.67
TPSA269.44 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.78
LogP ≤ 52.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 86689737
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methylbenzoate
CID 2604663
2-(1,3-dioxoisoindol-2-yl)ethyl 2,4-dimethylbenzoate
CID 2544102
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
4-(1,3-dioxoisoindol-2-yl)butyl 2,5-dimethylbenzoate
CID 16523651
2-(1,3-dioxoisoindol-2-yl)ethyl 2,3,4,5,6-pentamethylbenzoate
CID 7235473
2-[2-(4-chloro-3-methylphenoxy)ethyl]isoindole-1,3-dione
CID 7542719
2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate
CID 27937229
2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione
CID 126469357
N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867506
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethyl acetate
CID 16720658

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide (CID 159063742) is 6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide is Cc1ccc(Nc2cc(OCCN)nnc2C(N)=O)nc1C.Cc1ccc(Nc2cc(OCCN3C(=O)c4ccccc4C3=O)nnc2C(N)=O)nc1C.
What is the InChIKey of 6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide?
The InChIKey is JYUFVFKMZLTWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4.C14H18N6O2/c1-12-7-8-17(24-13(12)2)25-16-11-18(26-27-19(16)20(23)29)32-10-9-28-21(30)14-5-3-4-6-15(14)22(28)31;1-8-3-4-11(17-9(8)2)18-10-7-12(22-6-5-15)19-20-13(10)14(16)21/h3-8,11H,9-10H2,1-2H3,(H2,23,29)(H,24,25,26);3-4,7H,5-6,15H2,1-2H3,(H2,16,21)(H,17,18,19).
What are the key properties of 6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide?
6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide has a molecular weight of 734.78 g/mol, XLogP of 2.67, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethoxy)-4-[(5,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-[(5,6-dimethyl-2-pyridinyl)amino]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxy]pyridazine-3-carboxamide is sourced from PubChem (CID 159063742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).