N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide

C20H16N2O4 — CID 110683849

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1c[nH]c(=O)c(-c2ccccc2)c1
InChIInChI=1S/C20H16N2O4/c23-19(22-15-6-7-17-18(11-15)26-9-8-25-17)14-10-16(20(24)21-12-14)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,21,24)(H,22,23)
InChIKeyVJIOONANHAEIRQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.07
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide (PubChem CID 110683849) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
PubChem CID110683849
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1c[nH]c(=O)c(-c2ccccc2)c1
InChIInChI=1S/C20H16N2O4/c23-19(22-15-6-7-17-18(11-15)26-9-8-25-17)14-10-16(20(24)21-12-14)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,21,24)(H,22,23)
InChIKeyVJIOONANHAEIRQ-UHFFFAOYSA-N
XLogP3.07
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648657
N-(9,10-dioxoanthracen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2892787
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1188835
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
CID 16914985
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 18204542

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide (CID 110683849) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1c[nH]c(=O)c(-c2ccccc2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is VJIOONANHAEIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-19(22-15-6-7-17-18(11-15)26-9-8-25-17)14-10-16(20(24)21-12-14)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,21,24)(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110683849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).