2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C13H21N3O3 — CID 70119308

IUPAC2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCCCC1c2nc[nH]c2CCN1C(=O)OCCOC
InChIInChI=1S/C13H21N3O3/c1-3-4-11-12-10(14-9-15-12)5-6-16(11)13(17)19-8-7-18-2/h9,11H,3-8H2,1-2H3,(H,14,15)
InChIKeyFDLNIZVQYOIWEA-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.89
Rot. Bonds5

About 2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 70119308) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID70119308
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCCCC1c2nc[nH]c2CCN1C(=O)OCCOC
InChIInChI=1S/C13H21N3O3/c1-3-4-11-12-10(14-9-15-12)5-6-16(11)13(17)19-8-7-18-2/h9,11H,3-8H2,1-2H3,(H,14,15)
InChIKeyFDLNIZVQYOIWEA-UHFFFAOYSA-N
XLogP1.89
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of 2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 70119308) is 2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is CCCC1c2nc[nH]c2CCN1C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is FDLNIZVQYOIWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-4-11-12-10(14-9-15-12)5-6-16(11)13(17)19-8-7-18-2/h9,11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 70119308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).