6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one

C15H14N2O4 — CID 3133599

IUPAC6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1ccccn1
InChIInChI=1S/C15H14N2O4/c1-19-10-7-6-9-12(13(10)20-2)15(18)21-14(9)17-11-5-3-4-8-16-11/h3-8,14H,1-2H3,(H,16,17)
InChIKeyGAHIQOWQFIUTKG-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.38
Rot. Bonds4

About 6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one

6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one (PubChem CID 3133599) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one
PubChem CID3133599
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1ccccn1
InChIInChI=1S/C15H14N2O4/c1-19-10-7-6-9-12(13(10)20-2)15(18)21-14(9)17-11-5-3-4-8-16-11/h3-8,14H,1-2H3,(H,16,17)
InChIKeyGAHIQOWQFIUTKG-UHFFFAOYSA-N
XLogP2.38
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one
CID 659311
3-(3,5-Dibromo-pyridin-2-ylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one
CID 3773943
6,7-dimethoxy-3-((3-methylpyridin-2-yl)amino)isobenzofuran-1(3H)-one
CID 2878814
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-(pyridin-2-yl)hex-4-enamide
CID 52905256
US20240368104, Example 263
CID 165394236
6,7-dimethoxy-3-[(6-methylpyridin-2-yl)amino]-3H-2-benzofuran-1-one
CID 3131560
3-[(5-bromopyridin-2-yl)amino]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3131561
2-[[(2Z)-2-[7,8-bis(difluoromethoxy)-1-oxoisochromen-4-ylidene]acetyl]amino]pyridine-3-carboxylic acid
CID 52919687
2,3-Dimethoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-3-yl]benzoic acid
CID 126567030
4,6,7-trimethoxy-9-[6-[N-methyl-3-(trifluoromethyl)anilino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059368
US20240368104, Example 229
CID 165394187
US20240368104, Example 260
CID 165394191

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one?
The IUPAC name of 6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one (CID 3133599) is 6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one?
The canonical SMILES for 6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one is COc1ccc2c(c1OC)C(=O)OC2Nc1ccccn1.
What is the InChIKey of 6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one?
The InChIKey is GAHIQOWQFIUTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-19-10-7-6-9-12(13(10)20-2)15(18)21-14(9)17-11-5-3-4-8-16-11/h3-8,14H,1-2H3,(H,16,17).
What are the key properties of 6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one?
6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one has a molecular weight of 286.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 3133599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).