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

C22H20N2O4 — CID 7598361

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1
InChIInChI=1S/C22H20N2O4/c1-15-4-2-5-16(12-15)14-24-9-3-6-18(22(24)26)21(25)23-17-7-8-19-20(13-17)28-11-10-27-19/h2-9,12-13H,10-11,14H2,1H3,(H,23,25)
InChIKeyBPWHHUXQDRZZPG-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.23
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7598361) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7598361
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1
InChIInChI=1S/C22H20N2O4/c1-15-4-2-5-16(12-15)14-24-9-3-6-18(22(24)26)21(25)23-17-7-8-19-20(13-17)28-11-10-27-19/h2-9,12-13H,10-11,14H2,1H3,(H,23,25)
InChIKeyBPWHHUXQDRZZPG-UHFFFAOYSA-N
XLogP3.23
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.23
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)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7598361) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1cccc(Cn2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is BPWHHUXQDRZZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-15-4-2-5-16(12-15)14-24-9-3-6-18(22(24)26)21(25)23-17-7-8-19-20(13-17)28-11-10-27-19/h2-9,12-13H,10-11,14H2,1H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.23, 4 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-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7598361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).