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

C14H13N3O4 — CID 2469529

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1=O
InChIInChI=1S/C14H13N3O4/c1-17-13(18)5-3-10(16-17)14(19)15-9-2-4-11-12(8-9)21-7-6-20-11/h2-5,8H,6-7H2,1H3,(H,15,19)
InChIKeyZAJIPRWFUFDEOX-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.80
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 2469529) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID2469529
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1=O
InChIInChI=1S/C14H13N3O4/c1-17-13(18)5-3-10(16-17)14(19)15-9-2-4-11-12(8-9)21-7-6-20-11/h2-5,8H,6-7H2,1H3,(H,15,19)
InChIKeyZAJIPRWFUFDEOX-UHFFFAOYSA-N
XLogP0.80
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 2469529) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZAJIPRWFUFDEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-17-13(18)5-3-10(16-17)14(19)15-9-2-4-11-12(8-9)21-7-6-20-11/h2-5,8H,6-7H2,1H3,(H,15,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2469529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).