6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide

C17H21N5O3 — CID 109116094

IUPAC6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C17H21N5O3/c1-22(2)9-3-8-18-17(23)13-5-7-16(21-20-13)19-12-4-6-14-15(10-12)25-11-24-14/h4-7,10H,3,8-9,11H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyUOZBVTVNYVMBFX-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.63
Rot. Bonds7

About 6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide

6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide (PubChem CID 109116094) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
PubChem CID109116094
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C17H21N5O3/c1-22(2)9-3-8-18-17(23)13-5-7-16(21-20-13)19-12-4-6-14-15(10-12)25-11-24-14/h4-7,10H,3,8-9,11H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyUOZBVTVNYVMBFX-UHFFFAOYSA-N
XLogP1.63
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide
CID 109109368
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277249
6-(1,3-benzodioxol-5-ylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119622
6-(1,3-benzodioxol-5-ylamino)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118447
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154509
6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115449
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
3-N-(1,3-benzodioxol-5-yl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053473
N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109115410
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide (CID 109116094) is 6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(Nc2ccc3c(c2)OCO3)nn1.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide?
The InChIKey is UOZBVTVNYVMBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-22(2)9-3-8-18-17(23)13-5-7-16(21-20-13)19-12-4-6-14-15(10-12)25-11-24-14/h4-7,10H,3,8-9,11H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of 6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide?
6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109116094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).