3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile

C18H21N5 — CID 97213379

IUPAC3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile
SMILESCN1CCC[C@@H](CNc2nccnc2C#N)[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N5/c1-23-11-5-8-15(17(23)14-6-3-2-4-7-14)13-22-18-16(12-19)20-9-10-21-18/h2-4,6-7,9-10,15,17H,5,8,11,13H2,1H3,(H,21,22)/t15-,17-/m0/s1
InChIKeyJSCGZYBYJPYEGO-RDJZCZTQSA-N
MW307.40 g/mol
LogP2.84
Rot. Bonds4

About 3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile

3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile (PubChem CID 97213379) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile
PubChem CID97213379
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile
SMILESCN1CCC[C@@H](CNc2nccnc2C#N)[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N5/c1-23-11-5-8-15(17(23)14-6-3-2-4-7-14)13-22-18-16(12-19)20-9-10-21-18/h2-4,6-7,9-10,15,17H,5,8,11,13H2,1H3,(H,21,22)/t15-,17-/m0/s1
InChIKeyJSCGZYBYJPYEGO-RDJZCZTQSA-N
XLogP2.84
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 128979293
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CID 64911460
3-(cyclooctylmethylamino)pyrazine-2-carbonitrile
CID 133283842
N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 75374708
N-[[(2R,3R)-1-methyl-2-phenylpiperidin-3-yl]methyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 97218788
5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 128993532
3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413310
3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 146075842
N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 129421952
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile
CID 133293405
(2S,3S)-1,3-dimethyl-2-phenylpiperidine
CID 97355849
3-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 154750162

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile (CID 97213379) is 3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile is CN1CCC[C@@H](CNc2nccnc2C#N)[C@@H]1c1ccccc1.
What is the InChIKey of 3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is JSCGZYBYJPYEGO-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H21N5/c1-23-11-5-8-15(17(23)14-6-3-2-4-7-14)13-22-18-16(12-19)20-9-10-21-18/h2-4,6-7,9-10,15,17H,5,8,11,13H2,1H3,(H,21,22)/t15-,17-/m0/s1.
What are the key properties of 3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile?
3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,3S)-1-methyl-2-phenylpiperidin-3-yl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 97213379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).