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

C15H21N5 — CID 133396027

IUPAC3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCC1CCCN1C1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C15H21N5/c1-12-3-2-8-20(12)13-4-9-19(10-5-13)15-14(11-16)17-6-7-18-15/h6-7,12-13H,2-5,8-10H2,1H3
InChIKeyGSWWIEUBFULQOG-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.80
Rot. Bonds2

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

3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133396027) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID133396027
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCC1CCCN1C1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C15H21N5/c1-12-3-2-8-20(12)13-4-9-19(10-5-13)15-14(11-16)17-6-7-18-15/h6-7,12-13H,2-5,8-10H2,1H3
InChIKeyGSWWIEUBFULQOG-UHFFFAOYSA-N
XLogP1.80
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine
CID 133396303
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
CID 115307614
1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 62684699
3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284433
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile
CID 114961799
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346285
3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133284179
3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 172905390
3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 18526471
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348934

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 133396027) is 3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is CC1CCCN1C1CCN(c2nccnc2C#N)CC1.
What is the InChIKey of 3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is GSWWIEUBFULQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-3-2-8-20(12)13-4-9-19(10-5-13)15-14(11-16)17-6-7-18-15/h6-7,12-13H,2-5,8-10H2,1H3.
What are the key properties of 3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 271.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133396027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).