N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide

C17H22N4O3 — CID 113043251

IUPACN-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(NCCc2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C17H22N4O3/c1-4-17(22)19-16-8-7-15(20-21-16)18-10-9-12-5-6-13(23-2)14(11-12)24-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyRIYODNOFPAACQH-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.50
Rot. Bonds8

About N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide

N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide (PubChem CID 113043251) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
PubChem CID113043251
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(NCCc2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C17H22N4O3/c1-4-17(22)19-16-8-7-15(20-21-16)18-10-9-12-5-6-13(23-2)14(11-12)24-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyRIYODNOFPAACQH-UHFFFAOYSA-N
XLogP2.50
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113045233
N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113044288
N-[6-(2-methoxyethylamino)pyridazin-3-yl]propanamide
CID 113039391
ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate
CID 113013912
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
CID 113037967
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
CID 6412777
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide
CID 113043351
2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042355
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121525
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
CID 110788746

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide?
The IUPAC name of N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide (CID 113043251) is N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(NCCc2ccc(OC)c(OC)c2)nn1.
What is the InChIKey of N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide?
The InChIKey is RIYODNOFPAACQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-17(22)19-16-8-7-15(20-21-16)18-10-9-12-5-6-13(23-2)14(11-12)24-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide?
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide has a molecular weight of 330.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide is sourced from PubChem (CID 113043251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).