ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid

C18H26N2O6 — CID 142624852

IUPACethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESCC.COc1c(C=O)n(CC2OC3CCC(C3)N2C)cc(C(=O)O)c1=O
InChIInChI=1S/C16H20N2O6.C2H6/c1-17-9-3-4-10(5-9)24-13(17)7-18-6-11(16(21)22)14(20)15(23-2)12(18)8-19;1-2/h6,8-10,13H,3-5,7H2,1-2H3,(H,21,22);1-2H3
InChIKeyFXDCWSASCGPCRR-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.60
Rot. Bonds5

About ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid

ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 142624852) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
PubChem CID142624852
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Nameethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESCC.COc1c(C=O)n(CC2OC3CCC(C3)N2C)cc(C(=O)O)c1=O
InChIInChI=1S/C16H20N2O6.C2H6/c1-17-9-3-4-10(5-9)24-13(17)7-18-6-11(16(21)22)14(20)15(23-2)12(18)8-19;1-2/h6,8-10,13H,3-5,7H2,1-2H3,(H,21,22);1-2H3
InChIKeyFXDCWSASCGPCRR-UHFFFAOYSA-N
XLogP1.60
TPSA98.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid 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 ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid (CID 142624852) is ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid is CC.COc1c(C=O)n(CC2OC3CCC(C3)N2C)cc(C(=O)O)c1=O.
What is the InChIKey of ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is FXDCWSASCGPCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6.C2H6/c1-17-9-3-4-10(5-9)24-13(17)7-18-6-11(16(21)22)14(20)15(23-2)12(18)8-19;1-2/h6,8-10,13H,3-5,7H2,1-2H3,(H,21,22);1-2H3.
What are the key properties of ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid?
ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 366.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-formyl-5-methoxy-1-[(4-methyl-2-oxa-4-azabicyclo[3.2.1]octan-3-yl)methyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 142624852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).