N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide

C23H32N4O — CID 89009351

IUPACN-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ncc(-c2ccc(N)cc2)nc1CCC1CCCCC1
InChIInChI=1S/C23H32N4O/c1-16(2)14-22(28)27-23-20(13-8-17-6-4-3-5-7-17)26-21(15-25-23)18-9-11-19(24)12-10-18/h9-12,15-17H,3-8,13-14,24H2,1-2H3,(H,25,27,28)
InChIKeyISMHIQBIDHWGPE-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.22
Rot. Bonds7

About N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide

N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide (PubChem CID 89009351) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide
PubChem CID89009351
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ncc(-c2ccc(N)cc2)nc1CCC1CCCCC1
InChIInChI=1S/C23H32N4O/c1-16(2)14-22(28)27-23-20(13-8-17-6-4-3-5-7-17)26-21(15-25-23)18-9-11-19(24)12-10-18/h9-12,15-17H,3-8,13-14,24H2,1-2H3,(H,25,27,28)
InChIKeyISMHIQBIDHWGPE-UHFFFAOYSA-N
XLogP5.22
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-cyclohexylethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3-methylbutanamide
CID 123781945
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
CID 136625002
N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane
CID 143000636
N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143000334
2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625233
N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-2-phenylacetamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-phenylpropanamide
CID 159051784
2-cyclohexyl-N-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-methylbutanamide;N-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-methylbutanamide
CID 157357352
2-cyclohexyl-N-[5-(4-fluorophenyl)-3-(2-methylpropyl)pyrazin-2-yl]acetamide;N-[5-(4-fluorophenyl)-3-(2-methylpropyl)pyrazin-2-yl]acetamide;N-[5-(4-fluorophenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide;N-[5-(4-fluorophenyl)-3-(2-methylpropyl)pyrazin-2-yl]-3-methylbutanamide
CID 160808730
1-[[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]amino]-3-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 163513539
N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide
CID 123810383
N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide
CID 136624968
N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
CID 59510400

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide?
The IUPAC name of N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide (CID 89009351) is N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ncc(-c2ccc(N)cc2)nc1CCC1CCCCC1.
What is the InChIKey of N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide?
The InChIKey is ISMHIQBIDHWGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-16(2)14-22(28)27-23-20(13-8-17-6-4-3-5-7-17)26-21(15-25-23)18-9-11-19(24)12-10-18/h9-12,15-17H,3-8,13-14,24H2,1-2H3,(H,25,27,28).
What are the key properties of N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide?
N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide has a molecular weight of 380.54 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide is sourced from PubChem (CID 89009351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).