ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate

C23H23N3O6 — CID 55600625

IUPACethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)nc1C
InChIInChI=1S/C23H23N3O6/c1-3-31-23(29)15-8-9-17(24-14(15)2)21(27)25-19-16-6-4-5-7-18(16)32-20(19)22(28)26-10-12-30-13-11-26/h4-9H,3,10-13H2,1-2H3,(H,25,27)
InChIKeySSGWKXBTIIJAMQ-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.04
Rot. Bonds5

About ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate

ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate (PubChem CID 55600625) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate
PubChem CID55600625
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Nameethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)nc1C
InChIInChI=1S/C23H23N3O6/c1-3-31-23(29)15-8-9-17(24-14(15)2)21(27)25-19-16-6-4-5-7-18(16)32-20(19)22(28)26-10-12-30-13-11-26/h4-9H,3,10-13H2,1-2H3,(H,25,27)
InChIKeySSGWKXBTIIJAMQ-UHFFFAOYSA-N
XLogP3.04
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate (CID 55600625) is ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)nc1C.
What is the InChIKey of ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is SSGWKXBTIIJAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-3-31-23(29)15-8-9-17(24-14(15)2)21(27)25-19-16-6-4-5-7-18(16)32-20(19)22(28)26-10-12-30-13-11-26/h4-9H,3,10-13H2,1-2H3,(H,25,27).
What are the key properties of ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate?
ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 437.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 55600625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).