N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide

C20H26N6O2 — CID 123960085

IUPACN-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(C2CCCC(c3ccc(NC(=O)CC)nn3)C2)nn1
InChIInChI=1S/C20H26N6O2/c1-3-19(27)21-17-10-8-15(23-25-17)13-6-5-7-14(12-13)16-9-11-18(26-24-16)22-20(28)4-2/h8-11,13-14H,3-7,12H2,1-2H3,(H,21,25,27)(H,22,26,28)
InChIKeyHVDYGGAGTCAGNE-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.40
Rot. Bonds6

About N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide

N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide (PubChem CID 123960085) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
PubChem CID123960085
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(C2CCCC(c3ccc(NC(=O)CC)nn3)C2)nn1
InChIInChI=1S/C20H26N6O2/c1-3-19(27)21-17-10-8-15(23-25-17)13-6-5-7-14(12-13)16-9-11-18(26-24-16)22-20(28)4-2/h8-11,13-14H,3-7,12H2,1-2H3,(H,21,25,27)(H,22,26,28)
InChIKeyHVDYGGAGTCAGNE-UHFFFAOYSA-N
XLogP3.40
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide?
The IUPAC name of N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide (CID 123960085) is N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(C2CCCC(c3ccc(NC(=O)CC)nn3)C2)nn1.
What is the InChIKey of N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide?
The InChIKey is HVDYGGAGTCAGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-3-19(27)21-17-10-8-15(23-25-17)13-6-5-7-14(12-13)16-9-11-18(26-24-16)22-20(28)4-2/h8-11,13-14H,3-7,12H2,1-2H3,(H,21,25,27)(H,22,26,28).
What are the key properties of N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide?
N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide has a molecular weight of 382.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide is sourced from PubChem (CID 123960085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).