N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide

C24H25N3O4 — CID 45165560

IUPACN-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2Cc3cccc(-c4nc(C)cnc4C)c3O2)c1
InChIInChI=1S/C24H25N3O4/c1-14-12-25-15(2)22(27-14)21-7-5-6-16-8-20(31-23(16)21)13-26-24(28)17-9-18(29-3)11-19(10-17)30-4/h5-7,9-12,20H,8,13H2,1-4H3,(H,26,28)
InChIKeyPZRPZPYEGBDARO-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.51
Rot. Bonds6

About N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide

N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide (PubChem CID 45165560) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide
PubChem CID45165560
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2Cc3cccc(-c4nc(C)cnc4C)c3O2)c1
InChIInChI=1S/C24H25N3O4/c1-14-12-25-15(2)22(27-14)21-7-5-6-16-8-20(31-23(16)21)13-26-24(28)17-9-18(29-3)11-19(10-17)30-4/h5-7,9-12,20H,8,13H2,1-4H3,(H,26,28)
InChIKeyPZRPZPYEGBDARO-UHFFFAOYSA-N
XLogP3.51
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide (CID 45165560) is N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC2Cc3cccc(-c4nc(C)cnc4C)c3O2)c1.
What is the InChIKey of N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide?
The InChIKey is PZRPZPYEGBDARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-14-12-25-15(2)22(27-14)21-7-5-6-16-8-20(31-23(16)21)13-26-24(28)17-9-18(29-3)11-19(10-17)30-4/h5-7,9-12,20H,8,13H2,1-4H3,(H,26,28).
What are the key properties of N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide?
N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide has a molecular weight of 419.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 45165560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).