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

C25H25N3O5 — CID 46944196

IUPAC4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cc1OC
InChIInChI=1S/C25H25N3O5/c1-15(29)27-17-7-5-6-16(12-17)19-10-11-26-23-20(19)14-25(2,33-23)24(30)28-18-8-9-21(31-3)22(13-18)32-4/h5-13H,14H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyKINKAABFOFJYOP-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.06
Rot. Bonds6

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

4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (PubChem CID 46944196) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
PubChem CID46944196
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cc1OC
InChIInChI=1S/C25H25N3O5/c1-15(29)27-17-7-5-6-16(12-17)19-10-11-26-23-20(19)14-25(2,33-23)24(30)28-18-8-9-21(31-3)22(13-18)32-4/h5-13H,14H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyKINKAABFOFJYOP-UHFFFAOYSA-N
XLogP4.06
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (CID 46944196) is 4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is COc1ccc(NC(=O)C2(C)Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cc1OC.
What is the InChIKey of 4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is KINKAABFOFJYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-15(29)27-17-7-5-6-16(12-17)19-10-11-26-23-20(19)14-25(2,33-23)24(30)28-18-8-9-21(31-3)22(13-18)32-4/h5-13H,14H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)-N-(3,4-dimethoxyphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46944196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).