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

C17H16N6 — CID 133284387

IUPAC3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC(Nc3nccnc3C#N)CC2)cc1
InChIInChI=1S/C17H16N6/c18-11-13-1-3-15(4-2-13)23-9-5-14(6-10-23)22-17-16(12-19)20-7-8-21-17/h1-4,7-8,14H,5-6,9-10H2,(H,21,22)
InChIKeyNEABFLUSRQKLOK-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.30
Rot. Bonds3

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

3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 133284387) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID133284387
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC(Nc3nccnc3C#N)CC2)cc1
InChIInChI=1S/C17H16N6/c18-11-13-1-3-15(4-2-13)23-9-5-14(6-10-23)22-17-16(12-19)20-7-8-21-17/h1-4,7-8,14H,5-6,9-10H2,(H,21,22)
InChIKeyNEABFLUSRQKLOK-UHFFFAOYSA-N
XLogP2.30
TPSA88.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133284042
3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile
CID 133360455
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133283191
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71980270
4-(4-methylpiperidin-1-yl)benzonitrile
CID 3152080
3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile
CID 133479818
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 133292361
3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile
CID 62671449
4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59292043
3-fluoro-5-[4-(pyrimidin-4-ylamino)piperidin-1-yl]benzonitrile
CID 171326868
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile
CID 62673247

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile (CID 133284387) is 3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1ccc(N2CCC(Nc3nccnc3C#N)CC2)cc1.
What is the InChIKey of 3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is NEABFLUSRQKLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c18-11-13-1-3-15(4-2-13)23-9-5-14(6-10-23)22-17-16(12-19)20-7-8-21-17/h1-4,7-8,14H,5-6,9-10H2,(H,21,22).
What are the key properties of 3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 304.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).