N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

C18H22N4O3 — CID 113045169

IUPACN-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCCCN(CCC)c1ccc(NC(=O)c2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C18H22N4O3/c1-3-9-22(10-4-2)17-8-7-16(20-21-17)19-18(23)13-5-6-14-15(11-13)25-12-24-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,19,20,23)
InChIKeyMFRTVZPVJREFQA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.08
Rot. Bonds7

About N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113045169) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID113045169
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCCCN(CCC)c1ccc(NC(=O)c2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C18H22N4O3/c1-3-9-22(10-4-2)17-8-7-16(20-21-17)19-18(23)13-5-6-14-15(11-13)25-12-24-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,19,20,23)
InChIKeyMFRTVZPVJREFQA-UHFFFAOYSA-N
XLogP3.08
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044676
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040137
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040373
N-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044943
N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045734
ethyl 4-[6-(1,3-benzodioxole-5-carbonylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043599
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113051566
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040678
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113042002
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845

Frequently Asked Questions

What is the IUPAC name of N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (CID 113045169) is N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is CCCN(CCC)c1ccc(NC(=O)c2ccc3c(c2)OCO3)nn1.
What is the InChIKey of N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MFRTVZPVJREFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-9-22(10-4-2)17-8-7-16(20-21-17)19-18(23)13-5-6-14-15(11-13)25-12-24-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,19,20,23).
What are the key properties of N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113045169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).