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

C18H21N3O3 — CID 122279954

IUPACN-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)n2nc3c(cc2=O)CCC3)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-15-9-7-14(8-10-15)19-18(23)12(2)21-17(22)11-13-5-4-6-16(13)20-21/h7-12H,3-6H2,1-2H3,(H,19,23)
InChIKeyJKOHIDMFRGRWGM-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.33
Rot. Bonds5

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

N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122279954) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
PubChem CID122279954
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)n2nc3c(cc2=O)CCC3)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-15-9-7-14(8-10-15)19-18(23)12(2)21-17(22)11-13-5-4-6-16(13)20-21/h7-12H,3-6H2,1-2H3,(H,19,23)
InChIKeyJKOHIDMFRGRWGM-UHFFFAOYSA-N
XLogP2.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280323
N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280182
N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280002
N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279868
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280266
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280117
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
N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280255
N-(2-methoxy-5-methylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279987
N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280331
ethyl 5-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 122280313

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122279954) is N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CCOc1ccc(NC(=O)C(C)n2nc3c(cc2=O)CCC3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The InChIKey is JKOHIDMFRGRWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-15-9-7-14(8-10-15)19-18(23)12(2)21-17(22)11-13-5-4-6-16(13)20-21/h7-12H,3-6H2,1-2H3,(H,19,23).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122279954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).