1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide

C21H18N2O4 — CID 7422716

IUPAC1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H18N2O4/c24-20(22-16-8-9-18-19(13-16)27-12-11-26-18)17-7-4-10-23(21(17)25)14-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,22,24)
InChIKeyNDBNNTLGDRSRGU-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.92
Rot. Bonds4

About 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide

1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide (PubChem CID 7422716) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide
PubChem CID7422716
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H18N2O4/c24-20(22-16-8-9-18-19(13-16)27-12-11-26-18)17-7-4-10-23(21(17)25)14-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,22,24)
InChIKeyNDBNNTLGDRSRGU-UHFFFAOYSA-N
XLogP2.92
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide (CID 7422716) is 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is NDBNNTLGDRSRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-20(22-16-8-9-18-19(13-16)27-12-11-26-18)17-7-4-10-23(21(17)25)14-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,22,24).
What are the key properties of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide?
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7422716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).