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

C15H14N2O4 — CID 110693119

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1=O
InChIInChI=1S/C15H14N2O4/c1-17-9-10(2-5-14(17)18)15(19)16-11-3-4-12-13(8-11)21-7-6-20-12/h2-5,8-9H,6-7H2,1H3,(H,16,19)
InChIKeyDIVIFOGOMCDUCN-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.41
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 110693119) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID110693119
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1=O
InChIInChI=1S/C15H14N2O4/c1-17-9-10(2-5-14(17)18)15(19)16-11-3-4-12-13(8-11)21-7-6-20-12/h2-5,8-9H,6-7H2,1H3,(H,16,19)
InChIKeyDIVIFOGOMCDUCN-UHFFFAOYSA-N
XLogP1.41
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide
CID 136537487
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
CID 118986724
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 126843660
4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109044179
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrol-1-ylbenzamide
CID 27649854
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47341998

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide (CID 110693119) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is DIVIFOGOMCDUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-17-9-10(2-5-14(17)18)15(19)16-11-3-4-12-13(8-11)21-7-6-20-12/h2-5,8-9H,6-7H2,1H3,(H,16,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 110693119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).