3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide

C20H26ClN5O2 — CID 144858072

IUPAC3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide
SMILESCC.COc1ccc(C(N)=O)cc1.N#Cc1ncc(N2CCCCC2)nc1Cl
InChIInChI=1S/C10H11ClN4.C8H9NO2.C2H6/c11-10-8(6-12)13-7-9(14-10)15-4-2-1-3-5-15;1-11-7-4-2-6(3-5-7)8(9)10;1-2/h7H,1-5H2;2-5H,1H3,(H2,9,10);1-2H3
InChIKeyIKDHOUNTEBEIDE-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.81
Rot. Bonds3

About 3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide

3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide (PubChem CID 144858072) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide
PubChem CID144858072
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide
SMILESCC.COc1ccc(C(N)=O)cc1.N#Cc1ncc(N2CCCCC2)nc1Cl
InChIInChI=1S/C10H11ClN4.C8H9NO2.C2H6/c11-10-8(6-12)13-7-9(14-10)15-4-2-1-3-5-15;1-11-7-4-2-6(3-5-7)8(9)10;1-2/h7H,1-5H2;2-5H,1H3,(H2,9,10);1-2H3
InChIKeyIKDHOUNTEBEIDE-UHFFFAOYSA-N
XLogP3.81
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
CID 144858007
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 118114934
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
CID 144857934
3-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,1-dimethylurea
CID 118115329
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 123632688
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
CID 6482931
3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 118114798
3-[4-[2-(dimethylamino)ethoxy]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;4-methoxy-N-methylbenzamide
CID 144858094
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide?
The IUPAC name of 3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide (CID 144858072) is 3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide.
What is the SMILES notation for 3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide?
The canonical SMILES for 3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide is CC.COc1ccc(C(N)=O)cc1.N#Cc1ncc(N2CCCCC2)nc1Cl.
What is the InChIKey of 3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide?
The InChIKey is IKDHOUNTEBEIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4.C8H9NO2.C2H6/c11-10-8(6-12)13-7-9(14-10)15-4-2-1-3-5-15;1-11-7-4-2-6(3-5-7)8(9)10;1-2/h7H,1-5H2;2-5H,1H3,(H2,9,10);1-2H3.
What are the key properties of 3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide?
3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide has a molecular weight of 403.91 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide is sourced from PubChem (CID 144858072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).