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

C18H24N4O3 — CID 113037967

IUPAC3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(NC(C)C)nn2)cc1OC
InChIInChI=1S/C18H24N4O3/c1-12(2)19-16-8-9-17(22-21-16)20-18(23)10-6-13-5-7-14(24-3)15(11-13)25-4/h5,7-9,11-12H,6,10H2,1-4H3,(H,19,21)(H,20,22,23)
InChIKeyRSHFLXDITWPARA-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.89
Rot. Bonds8

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

3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide (PubChem CID 113037967) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
PubChem CID113037967
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(NC(C)C)nn2)cc1OC
InChIInChI=1S/C18H24N4O3/c1-12(2)19-16-8-9-17(22-21-16)20-18(23)10-6-13-5-7-14(24-3)15(11-13)25-4/h5,7-9,11-12H,6,10H2,1-4H3,(H,19,21)(H,20,22,23)
InChIKeyRSHFLXDITWPARA-UHFFFAOYSA-N
XLogP2.89
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.89
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-propan-2-ylpropanamide
CID 19220709
3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide
CID 113047289
2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041197
3-(3,4-dimethoxyphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)propanamide
CID 32946707
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113043251
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 34445344

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide (CID 113037967) is 3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide is COc1ccc(CCC(=O)Nc2ccc(NC(C)C)nn2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide?
The InChIKey is RSHFLXDITWPARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)19-16-8-9-17(22-21-16)20-18(23)10-6-13-5-7-14(24-3)15(11-13)25-4/h5,7-9,11-12H,6,10H2,1-4H3,(H,19,21)(H,20,22,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide has a molecular weight of 344.42 g/mol, XLogP of 2.89, 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-(propan-2-ylamino)pyridazin-3-yl]propanamide is sourced from PubChem (CID 113037967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).