N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide

C20H19N3O3 — CID 42461633

IUPACN-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide
SMILESCc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)c2ccoc2)O3)n1
InChIInChI=1S/C20H19N3O3/c1-12-9-21-13(2)19(23-12)14-3-4-18-16(7-14)8-17(26-18)10-22-20(24)15-5-6-25-11-15/h3-7,9,11,17H,8,10H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyBSFITSCCDZVGAJ-KRWDZBQOSA-N
MW349.39 g/mol
LogP3.09
Rot. Bonds4

About N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide

N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide (PubChem CID 42461633) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide
PubChem CID42461633
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide
SMILESCc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)c2ccoc2)O3)n1
InChIInChI=1S/C20H19N3O3/c1-12-9-21-13(2)19(23-12)14-3-4-18-16(7-14)8-17(26-18)10-22-20(24)15-5-6-25-11-15/h3-7,9,11,17H,8,10H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyBSFITSCCDZVGAJ-KRWDZBQOSA-N
XLogP3.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 26348672
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]quinoline-2-carboxamide
CID 45180650
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 45184171
N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26341482
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylquinoline-4-carboxamide
CID 45166172
N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxane-4-carboxamide
CID 42190190
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxypyridine-3-carboxamide
CID 45180649
2-(cyclohexen-1-yl)-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42538480
2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 45202295
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 45244803
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide
CID 45186965
(2S)-2-acetamido-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylsulfanylbutanamide
CID 42372819

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide (CID 42461633) is N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide is Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)c2ccoc2)O3)n1.
What is the InChIKey of N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide?
The InChIKey is BSFITSCCDZVGAJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-9-21-13(2)19(23-12)14-3-4-18-16(7-14)8-17(26-18)10-22-20(24)15-5-6-25-11-15/h3-7,9,11,17H,8,10H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide?
N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 42461633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).