4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

C23H21N3O3 — CID 46942921

IUPAC4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2ccnc3c2CC(C(=O)NCc2ccccc2)O3)cc1
InChIInChI=1S/C23H21N3O3/c1-15(27)26-18-9-7-17(8-10-18)19-11-12-24-23-20(19)13-21(29-23)22(28)25-14-16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyYUPMKLMHZPJCGW-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.33
Rot. Bonds5

About 4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (PubChem CID 46942921) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
PubChem CID46942921
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2ccnc3c2CC(C(=O)NCc2ccccc2)O3)cc1
InChIInChI=1S/C23H21N3O3/c1-15(27)26-18-9-7-17(8-10-18)19-11-12-24-23-20(19)13-21(29-23)22(28)25-14-16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyYUPMKLMHZPJCGW-UHFFFAOYSA-N
XLogP3.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (CID 46942921) is 4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is CC(=O)Nc1ccc(-c2ccnc3c2CC(C(=O)NCc2ccccc2)O3)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is YUPMKLMHZPJCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15(27)26-18-9-7-17(8-10-18)19-11-12-24-23-20(19)13-21(29-23)22(28)25-14-16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46942921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).