N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide

C17H23N5O3 — CID 113039907

IUPACN-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCCN(C)C)nn2)c1
InChIInChI=1S/C17H23N5O3/c1-22(2)8-7-18-15-5-6-16(21-20-15)19-17(23)12-9-13(24-3)11-14(10-12)25-4/h5-6,9-11H,7-8H2,1-4H3,(H,18,20)(H,19,21,23)
InChIKeyOBYZXPVALBJJQC-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.72
Rot. Bonds8

About N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide

N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide (PubChem CID 113039907) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
PubChem CID113039907
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCCN(C)C)nn2)c1
InChIInChI=1S/C17H23N5O3/c1-22(2)8-7-18-15-5-6-16(21-20-15)19-17(23)12-9-13(24-3)11-14(10-12)25-4/h5-6,9-11H,7-8H2,1-4H3,(H,18,20)(H,19,21,23)
InChIKeyOBYZXPVALBJJQC-UHFFFAOYSA-N
XLogP1.72
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
CID 113039930
3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113042583
N-[6-(dipropylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113045149
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039881
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039326
N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113038583
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide
CID 112981519
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113025505
3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide
CID 113040114
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide (CID 113039907) is N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(NCCN(C)C)nn2)c1.
What is the InChIKey of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
The InChIKey is OBYZXPVALBJJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-22(2)8-7-18-15-5-6-16(21-20-15)19-17(23)12-9-13(24-3)11-14(10-12)25-4/h5-6,9-11H,7-8H2,1-4H3,(H,18,20)(H,19,21,23).
What are the key properties of N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide has a molecular weight of 345.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113039907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).