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

C17H15N5O3 — CID 122280323

IUPACN-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)=NC(=O)N=2)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C17H15N5O3/c1-9(22-15(23)7-10-3-2-4-12(10)21-22)16(24)18-11-5-6-13-14(8-11)20-17(25)19-13/h5-9H,2-4H2,1H3,(H,18,24)
InChIKeyWINADIUSFARYHU-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.30
Rot. Bonds3

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

N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122280323) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
PubChem CID122280323
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)=NC(=O)N=2)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C17H15N5O3/c1-9(22-15(23)7-10-3-2-4-12(10)21-22)16(24)18-11-5-6-13-14(8-11)20-17(25)19-13/h5-9H,2-4H2,1H3,(H,18,24)
InChIKeyWINADIUSFARYHU-UHFFFAOYSA-N
XLogP0.30
TPSA105.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279989
N-(4-ethoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279954
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-(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-[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-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279941
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-(2-methoxy-5-methylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279987
N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279868
N-[(4-bromophenyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280331

Frequently Asked Questions

What is the IUPAC name of N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The IUPAC name of N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122280323) is N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The canonical SMILES for N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CC(C(=O)Nc1ccc2c(c1)=NC(=O)N=2)n1nc2c(cc1=O)CCC2.
What is the InChIKey of N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The InChIKey is WINADIUSFARYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-9(22-15(23)7-10-3-2-4-12(10)21-22)16(24)18-11-5-6-13-14(8-11)20-17(25)19-13/h5-9H,2-4H2,1H3,(H,18,24).
What are the key properties of N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 337.34 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobenzimidazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122280323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).