3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide

C14H14N4O3 — CID 83572416

IUPAC3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide
SMILESCNC(=O)c1c(-c2ccc3c(c2)OCCO3)cnnc1N
InChIInChI=1S/C14H14N4O3/c1-16-14(19)12-9(7-17-18-13(12)15)8-2-3-10-11(6-8)21-5-4-20-10/h2-3,6-7H,4-5H2,1H3,(H2,15,18)(H,16,19)
InChIKeyVAVNGRKWLGLBHB-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.86
Rot. Bonds2

About 3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide

3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide (PubChem CID 83572416) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide
PubChem CID83572416
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide
SMILESCNC(=O)c1c(-c2ccc3c(c2)OCCO3)cnnc1N
InChIInChI=1S/C14H14N4O3/c1-16-14(19)12-9(7-17-18-13(12)15)8-2-3-10-11(6-8)21-5-4-20-10/h2-3,6-7H,4-5H2,1H3,(H2,15,18)(H,16,19)
InChIKeyVAVNGRKWLGLBHB-UHFFFAOYSA-N
XLogP0.86
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide?
The IUPAC name of 3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide (CID 83572416) is 3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide?
The canonical SMILES for 3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide is CNC(=O)c1c(-c2ccc3c(c2)OCCO3)cnnc1N.
What is the InChIKey of 3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide?
The InChIKey is VAVNGRKWLGLBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-16-14(19)12-9(7-17-18-13(12)15)8-2-3-10-11(6-8)21-5-4-20-10/h2-3,6-7H,4-5H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide?
3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 83572416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).