N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide

C16H17N3O3 — CID 45204704

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide
SMILESCC(c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccnnc1
InChIInChI=1S/C16H17N3O3/c1-11(19(2)16(20)13-5-6-17-18-10-13)12-3-4-14-15(9-12)22-8-7-21-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyDWANMCKKCWCWBB-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.08
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide (PubChem CID 45204704) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide
PubChem CID45204704
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide
SMILESCC(c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccnnc1
InChIInChI=1S/C16H17N3O3/c1-11(19(2)16(20)13-5-6-17-18-10-13)12-3-4-14-15(9-12)22-8-7-21-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyDWANMCKKCWCWBB-UHFFFAOYSA-N
XLogP2.08
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide (CID 45204704) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide is CC(c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccnnc1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide?
The InChIKey is DWANMCKKCWCWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(19(2)16(20)13-5-6-17-18-10-13)12-3-4-14-15(9-12)22-8-7-21-14/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 45204704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).