N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide

C19H25N3O2 — CID 126935332

IUPACN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)C1CC=CC1
InChIInChI=1S/C19H25N3O2/c23-18-12-14-6-3-7-17(14)21-22(18)16-10-8-15(9-11-16)20-19(24)13-4-1-2-5-13/h1-2,12-13,15-16H,3-11H2,(H,20,24)
InChIKeyLLUCZYGJUKOOQY-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.30
Rot. Bonds3

About N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide

N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide (PubChem CID 126935332) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide
PubChem CID126935332
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)C1CC=CC1
InChIInChI=1S/C19H25N3O2/c23-18-12-14-6-3-7-17(14)21-22(18)16-10-8-15(9-11-16)20-19(24)13-4-1-2-5-13/h1-2,12-13,15-16H,3-11H2,(H,20,24)
InChIKeyLLUCZYGJUKOOQY-UHFFFAOYSA-N
XLogP2.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide with MolForge

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Related Compounds

N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]oxolane-3-carboxamide
CID 126935615
1-(oxan-4-yl)-3-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]urea
CID 126935296
2-[4-(cyclopropylmethylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935392
2-[4-(thian-4-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935544
1-methyl-2-oxo-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]pyridine-3-carboxamide
CID 126935258
2-(oxolan-2-yl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]acetamide
CID 126935618
1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide
CID 126935616
N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 75465729
2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935702
5,7-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 126935642
1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide
CID 126935967
2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935558

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide (CID 126935332) is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide is O=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)C1CC=CC1.
What is the InChIKey of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is LLUCZYGJUKOOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18-12-14-6-3-7-17(14)21-22(18)16-10-8-15(9-11-16)20-19(24)13-4-1-2-5-13/h1-2,12-13,15-16H,3-11H2,(H,20,24).
What are the key properties of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide?
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.30, 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]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 126935332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).