N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

C22H19FN2O4 — CID 46944018

IUPACN-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3c(-c4cccc(F)c4)ccnc3O2)cc1OC
InChIInChI=1S/C22H19FN2O4/c1-27-18-7-6-15(11-19(18)28-2)25-21(26)20-12-17-16(8-9-24-22(17)29-20)13-4-3-5-14(23)10-13/h3-11,20H,12H2,1-2H3,(H,25,26)
InChIKeyCMGSWMSJOXDASA-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.85
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (PubChem CID 46944018) has the molecular formula C22H19FN2O4 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
PubChem CID46944018
Molecular FormulaC22H19FN2O4
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3c(-c4cccc(F)c4)ccnc3O2)cc1OC
InChIInChI=1S/C22H19FN2O4/c1-27-18-7-6-15(11-19(18)28-2)25-21(26)20-12-17-16(8-9-24-22(17)29-20)13-4-3-5-14(23)10-13/h3-11,20H,12H2,1-2H3,(H,25,26)
InChIKeyCMGSWMSJOXDASA-UHFFFAOYSA-N
XLogP3.85
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (CID 46944018) is N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is COc1ccc(NC(=O)C2Cc3c(-c4cccc(F)c4)ccnc3O2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is CMGSWMSJOXDASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4/c1-27-18-7-6-15(11-19(18)28-2)25-21(26)20-12-17-16(8-9-24-22(17)29-20)13-4-3-5-14(23)10-13/h3-11,20H,12H2,1-2H3,(H,25,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46944018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).