4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide

C22H30N6O3 — CID 67311800

IUPAC4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cnccn1)N1CCN(Oc2ccnc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C22H30N6O3/c29-22(26-20-17-23-9-10-24-20)27-11-13-28(14-12-27)31-19-6-8-25-21(16-19)30-15-7-18-4-2-1-3-5-18/h6,8-10,16-18H,1-5,7,11-15H2,(H,24,26,29)
InChIKeyNYJOFNAXYNFNHC-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.36
Rot. Bonds7

About 4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide

4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 67311800) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID67311800
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC Name4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cnccn1)N1CCN(Oc2ccnc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C22H30N6O3/c29-22(26-20-17-23-9-10-24-20)27-11-13-28(14-12-27)31-19-6-8-25-21(16-19)30-15-7-18-4-2-1-3-5-18/h6,8-10,16-18H,1-5,7,11-15H2,(H,24,26,29)
InChIKeyNYJOFNAXYNFNHC-UHFFFAOYSA-N
XLogP3.36
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-pyrazin-2-ylazepane-1-carboxamide
CID 110492146
N-pyrazin-2-ylpyrrolidine-1-carboxamide
CID 110492109
4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 67313518
1-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 110492224
2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 58347770
1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347996
4-(2-methoxyphenyl)-N-pyrazin-2-ylpiperazine-1-carboxamide
CID 110492522
N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151028
[4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone
CID 58347497
3,5-dimethyl-N-pyrazin-2-ylpiperidine-1-carboxamide
CID 108893834
N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151039
N-(1,3-benzothiazol-2-yl)-4-[3-(2-cyclohexylethoxy)benzoyl]piperazine-1-carboxamide
CID 88927150

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide (CID 67311800) is 4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide is O=C(Nc1cnccn1)N1CCN(Oc2ccnc(OCCC3CCCCC3)c2)CC1.
What is the InChIKey of 4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is NYJOFNAXYNFNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3/c29-22(26-20-17-23-9-10-24-20)27-11-13-28(14-12-27)31-19-6-8-25-21(16-19)30-15-7-18-4-2-1-3-5-18/h6,8-10,16-18H,1-5,7,11-15H2,(H,24,26,29).
What are the key properties of 4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide?
4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 67311800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).