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

C17H23N3O2 — CID 126935261

IUPACN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)C1CC1
InChIInChI=1S/C17H23N3O2/c21-16-10-12-2-1-3-15(12)19-20(16)14-8-6-13(7-9-14)18-17(22)11-4-5-11/h10-11,13-14H,1-9H2,(H,18,22)
InChIKeyQPMGSYBHBDCPAR-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.74
Rot. Bonds3

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

N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide (PubChem CID 126935261) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide
PubChem CID126935261
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)C1CC1
InChIInChI=1S/C17H23N3O2/c21-16-10-12-2-1-3-15(12)19-20(16)14-8-6-13(7-9-14)18-17(22)11-4-5-11/h10-11,13-14H,1-9H2,(H,18,22)
InChIKeyQPMGSYBHBDCPAR-UHFFFAOYSA-N
XLogP1.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide (CID 126935261) is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide is O=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)C1CC1.
What is the InChIKey of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide?
The InChIKey is QPMGSYBHBDCPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16-10-12-2-1-3-15(12)19-20(16)14-8-6-13(7-9-14)18-17(22)11-4-5-11/h10-11,13-14H,1-9H2,(H,18,22).
What are the key properties of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide?
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 126935261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).