N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide

C20H22N4O4 — CID 91626142

IUPACN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCC(Oc3nccnc3C#N)CC2)c1OC
InChIInChI=1S/C20H22N4O4/c1-26-17-5-3-4-15(18(17)27-2)19(25)24-13-6-8-14(9-7-13)28-20-16(12-21)22-10-11-23-20/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,24,25)
InChIKeyXGSRCCIXJZRMEI-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.49
Rot. Bonds6

About N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide (PubChem CID 91626142) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide
PubChem CID91626142
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCC(Oc3nccnc3C#N)CC2)c1OC
InChIInChI=1S/C20H22N4O4/c1-26-17-5-3-4-15(18(17)27-2)19(25)24-13-6-8-14(9-7-13)28-20-16(12-21)22-10-11-23-20/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,24,25)
InChIKeyXGSRCCIXJZRMEI-UHFFFAOYSA-N
XLogP2.49
TPSA106.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide
CID 91626145
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 91626201
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide
CID 91626184
N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide
CID 136534296
(2S,3R)-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 100748728
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 91626176
2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 71810013
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide
CID 91626177
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide (CID 91626142) is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC2CCC(Oc3nccnc3C#N)CC2)c1OC.
What is the InChIKey of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide?
The InChIKey is XGSRCCIXJZRMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-26-17-5-3-4-15(18(17)27-2)19(25)24-13-6-8-14(9-7-13)28-20-16(12-21)22-10-11-23-20/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide?
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide has a molecular weight of 382.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 91626142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).