3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

C15H22N6O — CID 152671030

IUPAC3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCNc1cc(N(C)C2CN(C(=O)CC#N)CCC2C)cnn1
InChIInChI=1S/C15H22N6O/c1-11-5-7-21(15(22)4-6-16)10-13(11)20(3)12-8-14(17-2)19-18-9-12/h8-9,11,13H,4-5,7,10H2,1-3H3,(H,17,19)
InChIKeyZLNRYEZKERHRPU-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.11
Rot. Bonds4

About 3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 152671030) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
PubChem CID152671030
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCNc1cc(N(C)C2CN(C(=O)CC#N)CCC2C)cnn1
InChIInChI=1S/C15H22N6O/c1-11-5-7-21(15(22)4-6-16)10-13(11)20(3)12-8-14(17-2)19-18-9-12/h8-9,11,13H,4-5,7,10H2,1-3H3,(H,17,19)
InChIKeyZLNRYEZKERHRPU-UHFFFAOYSA-N
XLogP1.11
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (CID 152671030) is 3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is CNc1cc(N(C)C2CN(C(=O)CC#N)CCC2C)cnn1.
What is the InChIKey of 3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is ZLNRYEZKERHRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11-5-7-21(15(22)4-6-16)10-13(11)20(3)12-8-14(17-2)19-18-9-12/h8-9,11,13H,4-5,7,10H2,1-3H3,(H,17,19).
What are the key properties of 3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 302.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-[methyl-[6-(methylamino)pyridazin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 152671030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).