3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile

C20H25N5 — CID 133284042

IUPAC3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESCC(C)(C)c1ccc(N2CCC(Nc3nccnc3C#N)CC2)cc1
InChIInChI=1S/C20H25N5/c1-20(2,3)15-4-6-17(7-5-15)25-12-8-16(9-13-25)24-19-18(14-21)22-10-11-23-19/h4-7,10-11,16H,8-9,12-13H2,1-3H3,(H,23,24)
InChIKeyQFGLODWPVIIJHH-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.73
Rot. Bonds3

About 3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile

3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 133284042) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID133284042
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESCC(C)(C)c1ccc(N2CCC(Nc3nccnc3C#N)CC2)cc1
InChIInChI=1S/C20H25N5/c1-20(2,3)15-4-6-17(7-5-15)25-12-8-16(9-13-25)24-19-18(14-21)22-10-11-23-19/h4-7,10-11,16H,8-9,12-13H2,1-3H3,(H,23,24)
InChIKeyQFGLODWPVIIJHH-UHFFFAOYSA-N
XLogP3.73
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133284387
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133283191
3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71980270
3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile
CID 133479818
4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile
CID 133360455
3-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 154750162
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 133292361
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348934
3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile
CID 62671449
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-hydroxy-2-methylpropanamide
CID 99834501
3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
CID 115605254

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile (CID 133284042) is 3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile is CC(C)(C)c1ccc(N2CCC(Nc3nccnc3C#N)CC2)cc1.
What is the InChIKey of 3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is QFGLODWPVIIJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-20(2,3)15-4-6-17(7-5-15)25-12-8-16(9-13-25)24-19-18(14-21)22-10-11-23-19/h4-7,10-11,16H,8-9,12-13H2,1-3H3,(H,23,24).
What are the key properties of 3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 335.46 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).