6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate

C36H60N4O8 — CID 163299840

IUPAC6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate
SMILESCCCN(CCOC)Cc1cccc(C(=O)OC)n1.COC.O=Cc1cccc(CN(CCOCCCO)CCOCCC2CCC2)n1
InChIInChI=1S/C20H32N2O4.C14H22N2O3.C2H6O/c23-11-3-12-25-14-9-22(10-15-26-13-8-18-4-1-5-18)16-19-6-2-7-20(17-24)21-19;1-4-8-16(9-10-18-2)11-12-6-5-7-13(15-12)14(17)19-3;1-3-2/h2,6-7,17-18,23H,1,3-5,8-16H2;5-7H,4,8-11H2,1-3H3;1-2H3
InChIKeyIZFUPDMQCDVBAU-UHFFFAOYSA-N
MW676.90 g/mol
LogP4.29
Rot. Bonds23

About 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate

6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate (PubChem CID 163299840) has the molecular formula C36H60N4O8 and a molecular weight of 676.90 g/mol. Its IUPAC name is 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Name6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate
PubChem CID163299840
Molecular FormulaC36H60N4O8
Molecular Weight676.90 g/mol
Exact Mass676.44
IUPAC Name6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate
SMILESCCCN(CCOC)Cc1cccc(C(=O)OC)n1.COC.O=Cc1cccc(CN(CCOCCCO)CCOCCC2CCC2)n1
InChIInChI=1S/C20H32N2O4.C14H22N2O3.C2H6O/c23-11-3-12-25-14-9-22(10-15-26-13-8-18-4-1-5-18)16-19-6-2-7-20(17-24)21-19;1-4-8-16(9-10-18-2)11-12-6-5-7-13(15-12)14(17)19-3;1-3-2/h2,6-7,17-18,23H,1,3-5,8-16H2;5-7H,4,8-11H2,1-3H3;1-2H3
InChIKeyIZFUPDMQCDVBAU-UHFFFAOYSA-N
XLogP4.29
TPSA132.78 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.90
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate 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-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate?
The IUPAC name of 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate (CID 163299840) is 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate is CCCN(CCOC)Cc1cccc(C(=O)OC)n1.COC.O=Cc1cccc(CN(CCOCCCO)CCOCCC2CCC2)n1.
What is the InChIKey of 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate?
The InChIKey is IZFUPDMQCDVBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4.C14H22N2O3.C2H6O/c23-11-3-12-25-14-9-22(10-15-26-13-8-18-4-1-5-18)16-19-6-2-7-20(17-24)21-19;1-4-8-16(9-10-18-2)11-12-6-5-7-13(15-12)14(17)19-3;1-3-2/h2,6-7,17-18,23H,1,3-5,8-16H2;5-7H,4,8-11H2,1-3H3;1-2H3.
What are the key properties of 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate?
6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate has a molecular weight of 676.90 g/mol, XLogP of 4.29, 23 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-cyclobutylethoxy)ethyl-[2-(3-hydroxypropoxy)ethyl]amino]methyl]pyridine-2-carbaldehyde;methoxymethane;methyl 6-[[2-methoxyethyl(propyl)amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 163299840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).