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

C21H21FN4O3 — CID 113047289

IUPAC3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Nc3ccc(F)cc3)nn2)cc1OC
InChIInChI=1S/C21H21FN4O3/c1-28-17-9-3-14(13-18(17)29-2)4-12-21(27)24-20-11-10-19(25-26-20)23-16-7-5-15(22)6-8-16/h3,5-11,13H,4,12H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyYYTCURNFGGMVER-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.95
Rot. Bonds8

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

3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide (PubChem CID 113047289) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide
PubChem CID113047289
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Nc3ccc(F)cc3)nn2)cc1OC
InChIInChI=1S/C21H21FN4O3/c1-28-17-9-3-14(13-18(17)29-2)4-12-21(27)24-20-11-10-19(25-26-20)23-16-7-5-15(22)6-8-16/h3,5-11,13H,4,12H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyYYTCURNFGGMVER-UHFFFAOYSA-N
XLogP3.95
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113044288
3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
CID 113037967
N-[6-(tert-butylamino)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113014809
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide
CID 113031455
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
CID 113049292
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109173792
2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
CID 113048221
N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 110495803
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide (CID 113047289) is 3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide is COc1ccc(CCC(=O)Nc2ccc(Nc3ccc(F)cc3)nn2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide?
The InChIKey is YYTCURNFGGMVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-17-9-3-14(13-18(17)29-2)4-12-21(27)24-20-11-10-19(25-26-20)23-16-7-5-15(22)6-8-16/h3,5-11,13H,4,12H2,1-2H3,(H,23,25)(H,24,26,27).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide has a molecular weight of 396.42 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide is sourced from PubChem (CID 113047289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).