1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea

C21H25N5O3 — CID 91626201

IUPAC1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC2CCC(Oc3nccnc3C#N)CC2)cc1
InChIInChI=1S/C21H25N5O3/c1-28-17-6-2-15(3-7-17)10-11-25-21(27)26-16-4-8-18(9-5-16)29-20-19(14-22)23-12-13-24-20/h2-3,6-7,12-13,16,18H,4-5,8-11H2,1H3,(H2,25,26,27)
InChIKeyUPJMUQQVGFJGQU-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.59
Rot. Bonds7

About 1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea

1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 91626201) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID91626201
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC2CCC(Oc3nccnc3C#N)CC2)cc1
InChIInChI=1S/C21H25N5O3/c1-28-17-6-2-15(3-7-17)10-11-25-21(27)26-16-4-8-18(9-5-16)29-20-19(14-22)23-12-13-24-20/h2-3,6-7,12-13,16,18H,4-5,8-11H2,1H3,(H2,25,26,27)
InChIKeyUPJMUQQVGFJGQU-UHFFFAOYSA-N
XLogP2.59
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea with MolForge

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Related Compounds

(3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 100652570
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide
CID 91626145
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide
CID 91626142
1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71786236
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
CID 11493037
1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 91626320
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 91626176
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide
CID 91626184
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425141
(2S,3R)-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 100748728
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide
CID 91626177
1-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902041

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 91626201) is 1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC2CCC(Oc3nccnc3C#N)CC2)cc1.
What is the InChIKey of 1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is UPJMUQQVGFJGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-28-17-6-2-15(3-7-17)10-11-25-21(27)26-16-4-8-18(9-5-16)29-20-19(14-22)23-12-13-24-20/h2-3,6-7,12-13,16,18H,4-5,8-11H2,1H3,(H2,25,26,27).
What are the key properties of 1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 395.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 91626201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).