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

C18H25N3O2 — CID 126935276

IUPACN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)C1CCC1
InChIInChI=1S/C18H25N3O2/c22-17-11-13-5-2-6-16(13)20-21(17)15-9-7-14(8-10-15)19-18(23)12-3-1-4-12/h11-12,14-15H,1-10H2,(H,19,23)
InChIKeyUQUVSYSUIXEJNT-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.13
Rot. Bonds3

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

N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide (PubChem CID 126935276) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide
PubChem CID126935276
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)C1CCC1
InChIInChI=1S/C18H25N3O2/c22-17-11-13-5-2-6-16(13)20-21(17)15-9-7-14(8-10-15)19-18(23)12-3-1-4-12/h11-12,14-15H,1-10H2,(H,19,23)
InChIKeyUQUVSYSUIXEJNT-UHFFFAOYSA-N
XLogP2.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.13
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]cyclobutanecarboxamide?
The IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide (CID 126935276) is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide is O=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)C1CCC1.
What is the InChIKey of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide?
The InChIKey is UQUVSYSUIXEJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-11-13-5-2-6-16(13)20-21(17)15-9-7-14(8-10-15)19-18(23)12-3-1-4-12/h11-12,14-15H,1-10H2,(H,19,23).
What are the key properties of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide?
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclobutanecarboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.13, 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]cyclobutanecarboxamide is sourced from PubChem (CID 126935276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).