2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

C20H25N3O5 — CID 122280201

IUPAC2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)n2nc3c(cc2=O)CCC3)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-12(23-18(24)10-14-6-5-7-15(14)22-23)20(25)21-11-13-8-16(26-2)19(28-4)17(9-13)27-3/h8-10,12H,5-7,11H2,1-4H3,(H,21,25)
InChIKeyZDGXBUPSASNZKJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.64
Rot. Bonds7

About 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 122280201) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID122280201
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)n2nc3c(cc2=O)CCC3)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-12(23-18(24)10-14-6-5-7-15(14)22-23)20(25)21-11-13-8-16(26-2)19(28-4)17(9-13)27-3/h8-10,12H,5-7,11H2,1-4H3,(H,21,25)
InChIKeyZDGXBUPSASNZKJ-UHFFFAOYSA-N
XLogP1.64
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide with MolForge

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280255
N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280331
N-(2-methoxy-5-methylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279987
2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 122279906
N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279989
N-morpholin-4-yl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280048
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100721079
N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279941
(E)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 122280480
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
N-(6-methyl-2-pyridinyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279940
N-(2,4-difluorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279913

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 122280201) is 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)C(C)n2nc3c(cc2=O)CCC3)cc(OC)c1OC.
What is the InChIKey of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is ZDGXBUPSASNZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-12(23-18(24)10-14-6-5-7-15(14)22-23)20(25)21-11-13-8-16(26-2)19(28-4)17(9-13)27-3/h8-10,12H,5-7,11H2,1-4H3,(H,21,25).
What are the key properties of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 387.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 122280201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).