1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

C22H28N6O — CID 46297910

IUPAC1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)nn1
InChIInChI=1S/C22H28N6O/c1-27(2)20-7-8-21(26-25-20)28-13-10-16(11-14-28)22(29)23-12-9-17-15-24-19-6-4-3-5-18(17)19/h3-8,15-16,24H,9-14H2,1-2H3,(H,23,29)
InChIKeyPVFGENPXCWJPEL-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.60
Rot. Bonds6

About 1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46297910) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID46297910
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)nn1
InChIInChI=1S/C22H28N6O/c1-27(2)20-7-8-21(26-25-20)28-13-10-16(11-14-28)22(29)23-12-9-17-15-24-19-6-4-3-5-18(17)19/h3-8,15-16,24H,9-14H2,1-2H3,(H,23,29)
InChIKeyPVFGENPXCWJPEL-UHFFFAOYSA-N
XLogP2.60
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (CID 46297910) is 1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is CN(C)c1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)nn1.
What is the InChIKey of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is PVFGENPXCWJPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-27(2)20-7-8-21(26-25-20)28-13-10-16(11-14-28)22(29)23-12-9-17-15-24-19-6-4-3-5-18(17)19/h3-8,15-16,24H,9-14H2,1-2H3,(H,23,29).
What are the key properties of 1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46297910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).