methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate

C19H32N2O5 — CID 155721260

IUPACmethyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate
SMILESCCCOCCN(CCOCCCOC)Cc1cccc(C(=O)OC)n1
InChIInChI=1S/C19H32N2O5/c1-4-11-25-14-9-21(10-15-26-13-6-12-23-2)16-17-7-5-8-18(20-17)19(22)24-3/h5,7-8H,4,6,9-16H2,1-3H3
InChIKeyRFWSRQXDAVWXDM-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.15
Rot. Bonds15

About methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate

methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate (PubChem CID 155721260) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate
PubChem CID155721260
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Namemethyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate
SMILESCCCOCCN(CCOCCCOC)Cc1cccc(C(=O)OC)n1
InChIInChI=1S/C19H32N2O5/c1-4-11-25-14-9-21(10-15-26-13-6-12-23-2)16-17-7-5-8-18(20-17)19(22)24-3/h5,7-8H,4,6,9-16H2,1-3H3
InChIKeyRFWSRQXDAVWXDM-UHFFFAOYSA-N
XLogP2.15
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate (CID 155721260) is methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate is CCCOCCN(CCOCCCOC)Cc1cccc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate?
The InChIKey is RFWSRQXDAVWXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-4-11-25-14-9-21(10-15-26-13-6-12-23-2)16-17-7-5-8-18(20-17)19(22)24-3/h5,7-8H,4,6,9-16H2,1-3H3.
What are the key properties of methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate?
methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 2.15, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 155721260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).