ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate

C14H21N3O4 — CID 118739098

IUPACethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)C1CN(C(=O)COC)Cc2ncn(CC)c21
InChIInChI=1S/C14H21N3O4/c1-4-16-9-15-11-7-17(12(18)8-20-3)6-10(13(11)16)14(19)21-5-2/h9-10H,4-8H2,1-3H3
InChIKeyDLYPTHAELQOLHS-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.54
Rot. Bonds5

About ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate

ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate (PubChem CID 118739098) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
PubChem CID118739098
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)C1CN(C(=O)COC)Cc2ncn(CC)c21
InChIInChI=1S/C14H21N3O4/c1-4-16-9-15-11-7-17(12(18)8-20-3)6-10(13(11)16)14(19)21-5-2/h9-10H,4-8H2,1-3H3
InChIKeyDLYPTHAELQOLHS-UHFFFAOYSA-N
XLogP0.54
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate (CID 118739098) is ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate is CCOC(=O)C1CN(C(=O)COC)Cc2ncn(CC)c21.
What is the InChIKey of ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The InChIKey is DLYPTHAELQOLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-16-9-15-11-7-17(12(18)8-20-3)6-10(13(11)16)14(19)21-5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate is sourced from PubChem (CID 118739098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).