3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile

C16H21ClN6O — CID 167282710

IUPAC3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCCc1nc(C#N)c(Cl)nc1N1CCCC(N2CCN(C)C2=O)C1
InChIInChI=1S/C16H21ClN6O/c1-3-12-15(20-14(17)13(9-18)19-12)22-6-4-5-11(10-22)23-8-7-21(2)16(23)24/h11H,3-8,10H2,1-2H3
InChIKeyRVLGXSLIYODZMC-UHFFFAOYSA-N
MW348.84 g/mol
LogP1.90
Rot. Bonds3

About 3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile

3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 167282710) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is 3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID167282710
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCCc1nc(C#N)c(Cl)nc1N1CCCC(N2CCN(C)C2=O)C1
InChIInChI=1S/C16H21ClN6O/c1-3-12-15(20-14(17)13(9-18)19-12)22-6-4-5-11(10-22)23-8-7-21(2)16(23)24/h11H,3-8,10H2,1-2H3
InChIKeyRVLGXSLIYODZMC-UHFFFAOYSA-N
XLogP1.90
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 167282710) is 3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is CCc1nc(C#N)c(Cl)nc1N1CCCC(N2CCN(C)C2=O)C1.
What is the InChIKey of 3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is RVLGXSLIYODZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-3-12-15(20-14(17)13(9-18)19-12)22-6-4-5-11(10-22)23-8-7-21(2)16(23)24/h11H,3-8,10H2,1-2H3.
What are the key properties of 3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 348.84 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethyl-5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 167282710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).