5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile

C20H26N6 — CID 133374296

IUPAC5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2ccnc(N3CCCCC3)c2)c(C#N)c1CC
InChIInChI=1S/C20H26N6/c1-3-16-17(13-21)20(25-24-18(16)4-2)23-14-15-8-9-22-19(12-15)26-10-6-5-7-11-26/h8-9,12H,3-7,10-11,14H2,1-2H3,(H,23,25)
InChIKeyITKFMXUIBNRHRO-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.47
Rot. Bonds6

About 5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 133374296) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile
PubChem CID133374296
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2ccnc(N3CCCCC3)c2)c(C#N)c1CC
InChIInChI=1S/C20H26N6/c1-3-16-17(13-21)20(25-24-18(16)4-2)23-14-15-8-9-22-19(12-15)26-10-6-5-7-11-26/h8-9,12H,3-7,10-11,14H2,1-2H3,(H,23,25)
InChIKeyITKFMXUIBNRHRO-UHFFFAOYSA-N
XLogP3.47
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133374052
5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile
CID 80508640
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile
CID 133439815
5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 133360375
4-[[[2-(azepan-1-yl)-4-pyridinyl]methylamino]methyl]benzonitrile
CID 119125452
3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 56815452
1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969451
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile
CID 114694557
6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile
CID 133318351
4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide
CID 119043684

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile (CID 133374296) is 5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile is CCc1nnc(NCc2ccnc(N3CCCCC3)c2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is ITKFMXUIBNRHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-3-16-17(13-21)20(25-24-18(16)4-2)23-14-15-8-9-22-19(12-15)26-10-6-5-7-11-26/h8-9,12H,3-7,10-11,14H2,1-2H3,(H,23,25).
What are the key properties of 5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 350.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133374296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).