N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide

C19H22N4O — CID 113046028

IUPACN-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCc3ccccc32)nn1)C1CCCCC1
InChIInChI=1S/C19H22N4O/c24-19(15-7-2-1-3-8-15)20-17-10-11-18(22-21-17)23-13-12-14-6-4-5-9-16(14)23/h4-6,9-11,15H,1-3,7-8,12-13H2,(H,20,21,24)
InChIKeyBBHFOSMYIQXTNR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.69
Rot. Bonds3

About N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide

N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide (PubChem CID 113046028) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide
PubChem CID113046028
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCc3ccccc32)nn1)C1CCCCC1
InChIInChI=1S/C19H22N4O/c24-19(15-7-2-1-3-8-15)20-17-10-11-18(22-21-17)23-13-12-14-6-4-5-9-16(14)23/h4-6,9-11,15H,1-3,7-8,12-13H2,(H,20,21,24)
InChIKeyBBHFOSMYIQXTNR-UHFFFAOYSA-N
XLogP3.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide (CID 113046028) is N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide is O=C(Nc1ccc(N2CCc3ccccc32)nn1)C1CCCCC1.
What is the InChIKey of N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide?
The InChIKey is BBHFOSMYIQXTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(15-7-2-1-3-8-15)20-17-10-11-18(22-21-17)23-13-12-14-6-4-5-9-16(14)23/h4-6,9-11,15H,1-3,7-8,12-13H2,(H,20,21,24).
What are the key properties of N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide?
N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 113046028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).