N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide

C25H24N2O5 — CID 45200400

IUPACN-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC2Cc3cc(-c4ccccc4C(C)=O)ccc3O2)c(OC)n1
InChIInChI=1S/C25H24N2O5/c1-15(28)19-6-4-5-7-20(19)16-8-10-22-17(12-16)13-18(32-22)14-26-24(29)21-9-11-23(30-2)27-25(21)31-3/h4-12,18H,13-14H2,1-3H3,(H,26,29)
InChIKeyUVVCSTMBSLCLPE-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.70
Rot. Bonds7

About N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide

N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 45200400) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide
PubChem CID45200400
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC NameN-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC2Cc3cc(-c4ccccc4C(C)=O)ccc3O2)c(OC)n1
InChIInChI=1S/C25H24N2O5/c1-15(28)19-6-4-5-7-20(19)16-8-10-22-17(12-16)13-18(32-22)14-26-24(29)21-9-11-23(30-2)27-25(21)31-3/h4-12,18H,13-14H2,1-3H3,(H,26,29)
InChIKeyUVVCSTMBSLCLPE-UHFFFAOYSA-N
XLogP3.70
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide
CID 42406034
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide
CID 26278177
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 26319322
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-2-carboxamide
CID 126465751
N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylpropanamide
CID 26343807
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
CID 42345096
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide
CID 45204492
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 45174089
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 42357736
(2S)-N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42169368
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 45213186
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 45165822

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide?
The IUPAC name of N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide (CID 45200400) is N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide?
The canonical SMILES for N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide is COc1ccc(C(=O)NCC2Cc3cc(-c4ccccc4C(C)=O)ccc3O2)c(OC)n1.
What is the InChIKey of N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide?
The InChIKey is UVVCSTMBSLCLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-15(28)19-6-4-5-7-20(19)16-8-10-22-17(12-16)13-18(32-22)14-26-24(29)21-9-11-23(30-2)27-25(21)31-3/h4-12,18H,13-14H2,1-3H3,(H,26,29).
What are the key properties of N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide?
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 45200400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).