3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile

C15H16N6O — CID 100592511

IUPAC3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2ccncc2)C[C@H](O)C1
InChIInChI=1S/C15H16N6O/c16-9-14-15(19-6-5-18-14)21-8-7-20(10-13(22)11-21)12-1-3-17-4-2-12/h1-6,13,22H,7-8,10-11H2/t13-/m0/s1
InChIKeyUMSLWBJGNZLKRF-ZDUSSCGKSA-N
MW296.33 g/mol
LogP0.43
Rot. Bonds2

About 3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile

3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile (PubChem CID 100592511) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile
PubChem CID100592511
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2ccncc2)C[C@H](O)C1
InChIInChI=1S/C15H16N6O/c16-9-14-15(19-6-5-18-14)21-8-7-20(10-13(22)11-21)12-1-3-17-4-2-12/h1-6,13,22H,7-8,10-11H2/t13-/m0/s1
InChIKeyUMSLWBJGNZLKRF-ZDUSSCGKSA-N
XLogP0.43
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
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3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile
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3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile
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3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
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3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 172905390
3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 122149668
3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile
CID 97082744
3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile
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3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 62672376
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898

Frequently Asked Questions

What is the IUPAC name of 3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile (CID 100592511) is 3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN(c2ccncc2)C[C@H](O)C1.
What is the InChIKey of 3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile?
The InChIKey is UMSLWBJGNZLKRF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N6O/c16-9-14-15(19-6-5-18-14)21-8-7-20(10-13(22)11-21)12-1-3-17-4-2-12/h1-6,13,22H,7-8,10-11H2/t13-/m0/s1.
What are the key properties of 3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile?
3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 100592511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).