3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile

C16H17N5 — CID 97082744

IUPAC3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C16H17N5/c17-11-15-16(19-9-8-18-15)21-10-4-7-14(12-21)20-13-5-2-1-3-6-13/h1-3,5-6,8-9,14,20H,4,7,10,12H2/t14-/m0/s1
InChIKeyYVDFIBSEWAMEDT-AWEZNQCLSA-N
MW279.35 g/mol
LogP2.43
Rot. Bonds3

About 3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile

3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 97082744) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID97082744
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C16H17N5/c17-11-15-16(19-9-8-18-15)21-10-4-7-14(12-21)20-13-5-2-1-3-6-13/h1-3,5-6,8-9,14,20H,4,7,10,12H2/t14-/m0/s1
InChIKeyYVDFIBSEWAMEDT-AWEZNQCLSA-N
XLogP2.43
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile
CID 133363190
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
CID 133363140
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 63241718
3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 172905390
3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 55104922
1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine
CID 166212705
(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine
CID 97349084
N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine
CID 133301489
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
1-(3-bromo-5-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
CID 133363138

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile (CID 97082744) is 3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC[C@H](Nc2ccccc2)C1.
What is the InChIKey of 3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is YVDFIBSEWAMEDT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N5/c17-11-15-16(19-9-8-18-15)21-10-4-7-14(12-21)20-13-5-2-1-3-6-13/h1-3,5-6,8-9,14,20H,4,7,10,12H2/t14-/m0/s1.
What are the key properties of 3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile?
3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 97082744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).