N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide

C17H18N2O4 — CID 118986723

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)cn(C)c1=O
InChIInChI=1S/C17H18N2O4/c1-3-11-8-12(10-19(2)17(11)21)16(20)18-13-4-5-14-15(9-13)23-7-6-22-14/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,20)
InChIKeyHZAJXYZONIHDBR-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.97
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 118986723) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID118986723
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)cn(C)c1=O
InChIInChI=1S/C17H18N2O4/c1-3-11-8-12(10-19(2)17(11)21)16(20)18-13-4-5-14-15(9-13)23-7-6-22-14/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,20)
InChIKeyHZAJXYZONIHDBR-UHFFFAOYSA-N
XLogP1.97
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide (CID 118986723) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide is CCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)cn(C)c1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is HZAJXYZONIHDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-11-8-12(10-19(2)17(11)21)16(20)18-13-4-5-14-15(9-13)23-7-6-22-14/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.97, 3 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)-5-ethyl-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 118986723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).