N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide

C20H19N3O3 — CID 71802023

IUPACN-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCN(Cc1cnc2ccccn12)C(=O)c1cc2cccc(OC)c2o1
InChIInChI=1S/C20H19N3O3/c1-3-22(13-15-12-21-18-9-4-5-10-23(15)18)20(24)17-11-14-7-6-8-16(25-2)19(14)26-17/h4-12H,3,13H2,1-2H3
InChIKeyZDWKOCBJLVONIJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.75
Rot. Bonds5

About N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide

N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 71802023) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID71802023
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCN(Cc1cnc2ccccn12)C(=O)c1cc2cccc(OC)c2o1
InChIInChI=1S/C20H19N3O3/c1-3-22(13-15-12-21-18-9-4-5-10-23(15)18)20(24)17-11-14-7-6-8-16(25-2)19(14)26-17/h4-12H,3,13H2,1-2H3
InChIKeyZDWKOCBJLVONIJ-UHFFFAOYSA-N
XLogP3.75
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide (CID 71802023) is N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide is CCN(Cc1cnc2ccccn12)C(=O)c1cc2cccc(OC)c2o1.
What is the InChIKey of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is ZDWKOCBJLVONIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-22(13-15-12-21-18-9-4-5-10-23(15)18)20(24)17-11-14-7-6-8-16(25-2)19(14)26-17/h4-12H,3,13H2,1-2H3.
What are the key properties of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide?
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71802023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).