N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C20H21N3O4 — CID 137251202

IUPACN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCn1cc2nc(OC)c(CNC(=O)c3cccc4c3OCC4)cc2c1O
InChIInChI=1S/C20H21N3O4/c1-3-23-11-16-15(20(23)25)9-13(19(22-16)26-2)10-21-18(24)14-6-4-5-12-7-8-27-17(12)14/h4-6,9,11,25H,3,7-8,10H2,1-2H3,(H,21,24)
InChIKeyWHQFTDKVHCETEF-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.64
Rot. Bonds5

About N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 137251202) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID137251202
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCn1cc2nc(OC)c(CNC(=O)c3cccc4c3OCC4)cc2c1O
InChIInChI=1S/C20H21N3O4/c1-3-23-11-16-15(20(23)25)9-13(19(22-16)26-2)10-21-18(24)14-6-4-5-12-7-8-27-17(12)14/h4-6,9,11,25H,3,7-8,10H2,1-2H3,(H,21,24)
InChIKeyWHQFTDKVHCETEF-UHFFFAOYSA-N
XLogP2.64
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 137251216
N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 67794762
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026320
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone
CID 102950163
N-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isochromene-5-carboxamide
CID 138026649
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114744280
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
4-amino-1-[4-(aminomethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide;bis(4-amino-1-[4-[(2,3-dihydro-1-benzofuran-7-carbonylamino)methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide);methane
CID 165021568
N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 154655437

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 137251202) is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is CCn1cc2nc(OC)c(CNC(=O)c3cccc4c3OCC4)cc2c1O.
What is the InChIKey of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is WHQFTDKVHCETEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-23-11-16-15(20(23)25)9-13(19(22-16)26-2)10-21-18(24)14-6-4-5-12-7-8-27-17(12)14/h4-6,9,11,25H,3,7-8,10H2,1-2H3,(H,21,24).
What are the key properties of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 137251202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).