sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride

C17H22N3NaO5 — CID 175313041

IUPACsodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride
SMILESCc1cc(C(O)=C2C(=O)CCCC2=O)c(=O)n(CCC(=O)N(C)C)n1.[H-].[Na+]
InChIInChI=1S/C17H21N3O5.Na.H/c1-10-9-11(16(24)15-12(21)5-4-6-13(15)22)17(25)20(18-10)8-7-14(23)19(2)3;;/h9,24H,4-8H2,1-3H3;;/q;+1;-1
InChIKeyUJQNGOZOVZLRPY-UHFFFAOYSA-N
MW371.37 g/mol
LogP-2.26
Rot. Bonds4

About sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride

sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride (PubChem CID 175313041) has the molecular formula C17H22N3NaO5 and a molecular weight of 371.37 g/mol. Its IUPAC name is sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride.

Molecular Properties

Compound Namesodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride
PubChem CID175313041
Molecular FormulaC17H22N3NaO5
Molecular Weight371.37 g/mol
Exact Mass371.15
IUPAC Namesodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride
SMILESCc1cc(C(O)=C2C(=O)CCCC2=O)c(=O)n(CCC(=O)N(C)C)n1.[H-].[Na+]
InChIInChI=1S/C17H21N3O5.Na.H/c1-10-9-11(16(24)15-12(21)5-4-6-13(15)22)17(25)20(18-10)8-7-14(23)19(2)3;;/h9,24H,4-8H2,1-3H3;;/q;+1;-1
InChIKeyUJQNGOZOVZLRPY-UHFFFAOYSA-N
XLogP-2.26
TPSA109.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 5-2.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride 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 sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride?
The IUPAC name of sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride (CID 175313041) is sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride.
What is the SMILES notation for sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride?
The canonical SMILES for sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride is Cc1cc(C(O)=C2C(=O)CCCC2=O)c(=O)n(CCC(=O)N(C)C)n1.[H-].[Na+].
What is the InChIKey of sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride?
The InChIKey is UJQNGOZOVZLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5.Na.H/c1-10-9-11(16(24)15-12(21)5-4-6-13(15)22)17(25)20(18-10)8-7-14(23)19(2)3;;/h9,24H,4-8H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride?
sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride has a molecular weight of 371.37 g/mol, XLogP of -2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-[5-[(2,6-dioxocyclohexylidene)-hydroxymethyl]-3-methyl-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide;hydride is sourced from PubChem (CID 175313041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).