6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C23H34N8O — CID 156844898

IUPAC6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILES[H]/N=C/C(=N\NC)c1ccc(-c2ccc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)nc1OC
InChIInChI=1S/C23H34N8O/c1-22(2)12-15(13-23(3,4)30-22)31(6)20-11-10-18(28-29-20)17-9-8-16(21(26-17)32-7)19(14-24)27-25-5/h8-11,14-15,24-25,30H,12-13H2,1-7H3/b24-14+,27-19+
InChIKeyLWAHQQHYANVDDE-ZOALKXNRSA-N
MW438.58 g/mol
LogP2.87
Rot. Bonds7

About 6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 156844898) has the molecular formula C23H34N8O and a molecular weight of 438.58 g/mol. Its IUPAC name is 6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID156844898
Molecular FormulaC23H34N8O
Molecular Weight438.58 g/mol
Exact Mass438.29
IUPAC Name6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILES[H]/N=C/C(=N\NC)c1ccc(-c2ccc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)nc1OC
InChIInChI=1S/C23H34N8O/c1-22(2)12-15(13-23(3,4)30-22)31(6)20-11-10-18(28-29-20)17-9-8-16(21(26-17)32-7)19(14-24)27-25-5/h8-11,14-15,24-25,30H,12-13H2,1-7H3/b24-14+,27-19+
InChIKeyLWAHQQHYANVDDE-ZOALKXNRSA-N
XLogP2.87
TPSA111.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 156844898) is 6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is [H]/N=C/C(=N\NC)c1ccc(-c2ccc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)nc1OC.
What is the InChIKey of 6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is LWAHQQHYANVDDE-ZOALKXNRSA-N. The full InChI is InChI=1S/C23H34N8O/c1-22(2)12-15(13-23(3,4)30-22)31(6)20-11-10-18(28-29-20)17-9-8-16(21(26-17)32-7)19(14-24)27-25-5/h8-11,14-15,24-25,30H,12-13H2,1-7H3/b24-14+,27-19+.
What are the key properties of 6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 438.58 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]-6-methoxy-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 156844898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).