5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile

C14H20N4 — CID 133485562

IUPAC5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCCCC1C(C)CCCN1c1cnc(C#N)cn1
InChIInChI=1S/C14H20N4/c1-3-5-13-11(2)6-4-7-18(13)14-10-16-12(8-15)9-17-14/h9-11,13H,3-7H2,1-2H3
InChIKeyQYOJHUNTPXONLV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds3

About 5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile

5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 133485562) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID133485562
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCCCC1C(C)CCCN1c1cnc(C#N)cn1
InChIInChI=1S/C14H20N4/c1-3-5-13-11(2)6-4-7-18(13)14-10-16-12(8-15)9-17-14/h9-11,13H,3-7H2,1-2H3
InChIKeyQYOJHUNTPXONLV-UHFFFAOYSA-N
XLogP2.75
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 127909683
5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 99802734
5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 129491902
5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 133485263
5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 104918116
5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 79867314
5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 167901533
5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 81463984
5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 125141234
5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile
CID 66383257
5-(3-methyl-3-propylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 133484886
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 114382889

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile (CID 133485562) is 5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile is CCCC1C(C)CCCN1c1cnc(C#N)cn1.
What is the InChIKey of 5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is QYOJHUNTPXONLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-5-13-11(2)6-4-7-18(13)14-10-16-12(8-15)9-17-14/h9-11,13H,3-7H2,1-2H3.
What are the key properties of 5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile?
5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 133485562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).