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

C17H25N3O4 — CID 118739100

IUPACethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)C1CN(C(=O)C2CCOCC2)Cc2ncn(CC)c21
InChIInChI=1S/C17H25N3O4/c1-3-19-11-18-14-10-20(16(21)12-5-7-23-8-6-12)9-13(15(14)19)17(22)24-4-2/h11-13H,3-10H2,1-2H3
InChIKeyUIKPMBVUOUOUDX-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.32
Rot. Bonds4

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

ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate (PubChem CID 118739100) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
PubChem CID118739100
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Nameethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)C1CN(C(=O)C2CCOCC2)Cc2ncn(CC)c21
InChIInChI=1S/C17H25N3O4/c1-3-19-11-18-14-10-20(16(21)12-5-7-23-8-6-12)9-13(15(14)19)17(22)24-4-2/h11-13H,3-10H2,1-2H3
InChIKeyUIKPMBVUOUOUDX-UHFFFAOYSA-N
XLogP1.32
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.32
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-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate (CID 118739100) is ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate is CCOC(=O)C1CN(C(=O)C2CCOCC2)Cc2ncn(CC)c21.
What is the InChIKey of ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The InChIKey is UIKPMBVUOUOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-3-19-11-18-14-10-20(16(21)12-5-7-23-8-6-12)9-13(15(14)19)17(22)24-4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-5-(oxane-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate is sourced from PubChem (CID 118739100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).