4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

C24H23N3O3 — CID 46943732

IUPAC4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccnc3c2CC(C)(C(=O)NCc2ccccc2)O3)c1
InChIInChI=1S/C24H23N3O3/c1-16(28)27-19-10-6-9-18(13-19)20-11-12-25-22-21(20)14-24(2,30-22)23(29)26-15-17-7-4-3-5-8-17/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyAUDOKFQDQYTATF-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.72
Rot. Bonds5

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

4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (PubChem CID 46943732) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
PubChem CID46943732
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccnc3c2CC(C)(C(=O)NCc2ccccc2)O3)c1
InChIInChI=1S/C24H23N3O3/c1-16(28)27-19-10-6-9-18(13-19)20-11-12-25-22-21(20)14-24(2,30-22)23(29)26-15-17-7-4-3-5-8-17/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyAUDOKFQDQYTATF-UHFFFAOYSA-N
XLogP3.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (CID 46943732) is 4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is CC(=O)Nc1cccc(-c2ccnc3c2CC(C)(C(=O)NCc2ccccc2)O3)c1.
What is the InChIKey of 4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is AUDOKFQDQYTATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16(28)27-19-10-6-9-18(13-19)20-11-12-25-22-21(20)14-24(2,30-22)23(29)26-15-17-7-4-3-5-8-17/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)-N-benzyl-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46943732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).