[6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone

C20H23N5O — CID 118111843

IUPAC[6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCNc1cc(C(=O)N2CCCC(c3[nH]c4ccccc4c3C)C2)cnn1
InChIInChI=1S/C20H23N5O/c1-13-16-7-3-4-8-17(16)23-19(13)14-6-5-9-25(12-14)20(26)15-10-18(21-2)24-22-11-15/h3-4,7-8,10-11,14,23H,5-6,9,12H2,1-2H3,(H,21,24)
InChIKeyAMUUGXAENFXABO-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.33
Rot. Bonds3

About [6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone

[6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 118111843) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID118111843
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCNc1cc(C(=O)N2CCCC(c3[nH]c4ccccc4c3C)C2)cnn1
InChIInChI=1S/C20H23N5O/c1-13-16-7-3-4-8-17(16)23-19(13)14-6-5-9-25(12-14)20(26)15-10-18(21-2)24-22-11-15/h3-4,7-8,10-11,14,23H,5-6,9,12H2,1-2H3,(H,21,24)
InChIKeyAMUUGXAENFXABO-UHFFFAOYSA-N
XLogP3.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone (CID 118111843) is [6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone is CNc1cc(C(=O)N2CCCC(c3[nH]c4ccccc4c3C)C2)cnn1.
What is the InChIKey of [6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is AMUUGXAENFXABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-16-7-3-4-8-17(16)23-19(13)14-6-5-9-25(12-14)20(26)15-10-18(21-2)24-22-11-15/h3-4,7-8,10-11,14,23H,5-6,9,12H2,1-2H3,(H,21,24).
What are the key properties of [6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone?
[6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 349.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118111843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).