N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

C24H21N3O5 — CID 46942983

IUPACN-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1
InChIInChI=1S/C24H21N3O5/c1-14(28)26-16-4-6-17(7-5-16)27-23(29)24(2)12-19-18(9-10-25-22(19)32-24)15-3-8-20-21(11-15)31-13-30-20/h3-11H,12-13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyQRPSCUVQUDPTQW-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.77
Rot. Bonds4

About N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (PubChem CID 46942983) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
PubChem CID46942983
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC NameN-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1
InChIInChI=1S/C24H21N3O5/c1-14(28)26-16-4-6-17(7-5-16)27-23(29)24(2)12-19-18(9-10-25-22(19)32-24)15-3-8-20-21(11-15)31-13-30-20/h3-11H,12-13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyQRPSCUVQUDPTQW-UHFFFAOYSA-N
XLogP3.77
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (CID 46942983) is N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)C2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is QRPSCUVQUDPTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-14(28)26-16-4-6-17(7-5-16)27-23(29)24(2)12-19-18(9-10-25-22(19)32-24)15-3-8-20-21(11-15)31-13-30-20/h3-11H,12-13H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(1,3-benzodioxol-5-yl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46942983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).