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

C18H26N4O3 — CID 126935291

IUPACN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)N1CCOCC1
InChIInChI=1S/C18H26N4O3/c23-17-12-13-2-1-3-16(13)20-22(17)15-6-4-14(5-7-15)19-18(24)21-8-10-25-11-9-21/h12,14-15H,1-11H2,(H,19,24)
InChIKeyCMUMWKPGITVFFW-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.26
Rot. Bonds2

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

N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide (PubChem CID 126935291) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide
PubChem CID126935291
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)N1CCOCC1
InChIInChI=1S/C18H26N4O3/c23-17-12-13-2-1-3-16(13)20-22(17)15-6-4-14(5-7-15)19-18(24)21-8-10-25-11-9-21/h12,14-15H,1-11H2,(H,19,24)
InChIKeyCMUMWKPGITVFFW-UHFFFAOYSA-N
XLogP1.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]morpholine-4-carboxamide?
The IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide (CID 126935291) is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide is O=C(NC1CCC(n2nc3c(cc2=O)CCC3)CC1)N1CCOCC1.
What is the InChIKey of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide?
The InChIKey is CMUMWKPGITVFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17-12-13-2-1-3-16(13)20-22(17)15-6-4-14(5-7-15)19-18(24)21-8-10-25-11-9-21/h12,14-15H,1-11H2,(H,19,24).
What are the key properties of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide?
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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]morpholine-4-carboxamide is sourced from PubChem (CID 126935291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).