N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

C18H21N5O3 — CID 113040373

IUPACN-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)nn2)CC1
InChIInChI=1S/C18H21N5O3/c1-2-22-7-9-23(10-8-22)17-6-5-16(20-21-17)19-18(24)13-3-4-14-15(11-13)26-12-25-14/h3-6,11H,2,7-10,12H2,1H3,(H,19,20,24)
InChIKeyDVADJBWUQOAGQW-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.60
Rot. Bonds4

About N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113040373) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID113040373
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)nn2)CC1
InChIInChI=1S/C18H21N5O3/c1-2-22-7-9-23(10-8-22)17-6-5-16(20-21-17)19-18(24)13-3-4-14-15(11-13)26-12-25-14/h3-6,11H,2,7-10,12H2,1H3,(H,19,20,24)
InChIKeyDVADJBWUQOAGQW-UHFFFAOYSA-N
XLogP1.60
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[6-(1,3-benzodioxole-5-carbonylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043599
N-(1,3-benzodioxol-5-yl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116596
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090054
N-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044943
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
N-[6-(dipropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045169
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044676
1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea
CID 113043634
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040137
1,3-benzodioxol-5-yl-(4-ethylpiperazin-1-yl)methanone
CID 798684
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7593475

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (CID 113040373) is N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)nn2)CC1.
What is the InChIKey of N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is DVADJBWUQOAGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-2-22-7-9-23(10-8-22)17-6-5-16(20-21-17)19-18(24)13-3-4-14-15(11-13)26-12-25-14/h3-6,11H,2,7-10,12H2,1H3,(H,19,20,24).
What are the key properties of N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113040373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).