N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide

C20H18FN3O3 — CID 45186965

IUPACN-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide
SMILESCc1cnc(C)c(-c2ccc(F)c3c2OC(CNC(=O)c2ccoc2)C3)n1
InChIInChI=1S/C20H18FN3O3/c1-11-8-22-12(2)18(24-11)15-3-4-17(21)16-7-14(27-19(15)16)9-23-20(25)13-5-6-26-10-13/h3-6,8,10,14H,7,9H2,1-2H3,(H,23,25)
InChIKeyUIEFNBFBVVTKPK-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.23
Rot. Bonds4

About N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide

N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide (PubChem CID 45186965) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide
PubChem CID45186965
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide
SMILESCc1cnc(C)c(-c2ccc(F)c3c2OC(CNC(=O)c2ccoc2)C3)n1
InChIInChI=1S/C20H18FN3O3/c1-11-8-22-12(2)18(24-11)15-3-4-17(21)16-7-14(27-19(15)16)9-23-20(25)13-5-6-26-10-13/h3-6,8,10,14H,7,9H2,1-2H3,(H,23,25)
InChIKeyUIEFNBFBVVTKPK-UHFFFAOYSA-N
XLogP3.23
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide (CID 45186965) is N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide is Cc1cnc(C)c(-c2ccc(F)c3c2OC(CNC(=O)c2ccoc2)C3)n1.
What is the InChIKey of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide?
The InChIKey is UIEFNBFBVVTKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-11-8-22-12(2)18(24-11)15-3-4-17(21)16-7-14(27-19(15)16)9-23-20(25)13-5-6-26-10-13/h3-6,8,10,14H,7,9H2,1-2H3,(H,23,25).
What are the key properties of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide?
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 45186965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).