1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile

C12H14N4O — CID 114031881

IUPAC1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile
SMILESCc1cnc(C(=O)N2CCCCC2C#N)cn1
InChIInChI=1S/C12H14N4O/c1-9-7-15-11(8-14-9)12(17)16-5-3-2-4-10(16)6-13/h7-8,10H,2-5H2,1H3
InChIKeyQDQQKOGBSGSZIW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.30
Rot. Bonds1

About 1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile

1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile (PubChem CID 114031881) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile
PubChem CID114031881
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile
SMILESCc1cnc(C(=O)N2CCCCC2C#N)cn1
InChIInChI=1S/C12H14N4O/c1-9-7-15-11(8-14-9)12(17)16-5-3-2-4-10(16)6-13/h7-8,10H,2-5H2,1H3
InChIKeyQDQQKOGBSGSZIW-UHFFFAOYSA-N
XLogP1.30
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
ethyl 1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005584
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
(2S)-1-acetylazepane-2-carbonitrile
CID 125042026
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627
(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118741502

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile?
The IUPAC name of 1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile (CID 114031881) is 1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile is Cc1cnc(C(=O)N2CCCCC2C#N)cn1.
What is the InChIKey of 1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile?
The InChIKey is QDQQKOGBSGSZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-7-15-11(8-14-9)12(17)16-5-3-2-4-10(16)6-13/h7-8,10H,2-5H2,1H3.
What are the key properties of 1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile?
1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile is sourced from PubChem (CID 114031881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).