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

3-(Heptylamino)pyrazine-2,5-dicarbonitrile
CID 57334416
3-(4-Methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile
CID 57398119
3-(Octylamino)pyrazine-2,5-dicarbonitrile
CID 57399967
3-[2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 71978663
5-(2-Piperidin-1-ylethylamino)pyrazine-2-carbonitrile
CID 64288873
5-[(4-Methylcyclohexyl)methylamino]pyrazine-2-carbonitrile
CID 64289757
rel-(3R,4S)-4-isopropyl-N,N-dimethyl-1-(3-methyl-2-pyrazinyl)-3-pyrrolidinamine hydrochloride
CID 72894110
3-[(4S)-4-propan-2-ylazepan-1-yl]pyrazine-2-carbonitrile
CID 95380576
3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile
CID 95627667
2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
CID 125143380
5-(2,3-Dicyclopropylazetidin-1-yl)pyrazine-2-carbonitrile
CID 128564746
3-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 129610712

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).