2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile

C22H30N6O — CID 126937867

IUPAC2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(=O)n(CCN2CCCCC2CNc2ncccc2C#N)n1
InChIInChI=1S/C22H30N6O/c1-22(2,3)19-9-10-20(29)28(26-19)14-13-27-12-5-4-8-18(27)16-25-21-17(15-23)7-6-11-24-21/h6-7,9-11,18H,4-5,8,12-14,16H2,1-3H3,(H,24,25)
InChIKeyRNOWAOIBTMYCSC-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.77
Rot. Bonds6

About 2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile

2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 126937867) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile
PubChem CID126937867
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(=O)n(CCN2CCCCC2CNc2ncccc2C#N)n1
InChIInChI=1S/C22H30N6O/c1-22(2,3)19-9-10-20(29)28(26-19)14-13-27-12-5-4-8-18(27)16-25-21-17(15-23)7-6-11-24-21/h6-7,9-11,18H,4-5,8,12-14,16H2,1-3H3,(H,24,25)
InChIKeyRNOWAOIBTMYCSC-UHFFFAOYSA-N
XLogP2.77
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-tert-butyl-2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937906
6-tert-butyl-2-[2-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937892
2-[2-[2-[[(5-bromopyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-tert-butylpyridazin-3-one
CID 126937873
6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937891
6-tert-butyl-2-[2-[2-[[(6-methylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937882
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923941
N-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 126937798
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937711
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937509
N-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 126937849
N-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 126937807
tert-butyl (2S)-2-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97172699

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile (CID 126937867) is 2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile is CC(C)(C)c1ccc(=O)n(CCN2CCCCC2CNc2ncccc2C#N)n1.
What is the InChIKey of 2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is RNOWAOIBTMYCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-22(2,3)19-9-10-20(29)28(26-19)14-13-27-12-5-4-8-18(27)16-25-21-17(15-23)7-6-11-24-21/h6-7,9-11,18H,4-5,8,12-14,16H2,1-3H3,(H,24,25).
What are the key properties of 2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile?
2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 394.52 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 126937867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).