6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide

C19H14F2N4O3 — CID 109120416

IUPAC6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(NCc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C19H14F2N4O3/c20-12-2-3-14(13(21)8-12)23-19(26)15-4-6-18(25-24-15)22-9-11-1-5-16-17(7-11)28-10-27-16/h1-8H,9-10H2,(H,22,25)(H,23,26)
InChIKeyBCCQDASKYAEEBP-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.35
Rot. Bonds5

About 6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide

6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide (PubChem CID 109120416) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
PubChem CID109120416
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Name6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(NCc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C19H14F2N4O3/c20-12-2-3-14(13(21)8-12)23-19(26)15-4-6-18(25-24-15)22-9-11-1-5-16-17(7-11)28-10-27-16/h1-8H,9-10H2,(H,22,25)(H,23,26)
InChIKeyBCCQDASKYAEEBP-UHFFFAOYSA-N
XLogP3.35
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306600
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212478
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
CID 79006050
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylic acid
CID 62907498
N-(2,4-difluorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121063
methyl 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylate
CID 60757560
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118589
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113041856
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113004
N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide
CID 509772
6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109119521
N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118236

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide (CID 109120416) is 6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(NCc2ccc3c(c2)OCO3)nn1.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
The InChIKey is BCCQDASKYAEEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c20-12-2-3-14(13(21)8-12)23-19(26)15-4-6-18(25-24-15)22-9-11-1-5-16-17(7-11)28-10-27-16/h1-8H,9-10H2,(H,22,25)(H,23,26).
What are the key properties of 6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109120416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).