N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide

C27H30FN3O — CID 143000334

IUPACN-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc(-c3ccc(F)cc3)nc2CCC2CCCCC2)cc1
InChIInChI=1S/C27H30FN3O/c1-19-7-9-21(10-8-19)17-26(32)31-27-24(16-11-20-5-3-2-4-6-20)30-25(18-29-27)22-12-14-23(28)15-13-22/h7-10,12-15,18,20H,2-6,11,16-17H2,1H3,(H,29,31,32)
InChIKeyUUAMMQWHRFQPFQ-UHFFFAOYSA-N
MW431.56 g/mol
LogP6.29
Rot. Bonds7

About N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide

N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide (PubChem CID 143000334) has the molecular formula C27H30FN3O and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide
PubChem CID143000334
Molecular FormulaC27H30FN3O
Molecular Weight431.56 g/mol
Exact Mass431.24
IUPAC NameN-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc(-c3ccc(F)cc3)nc2CCC2CCCCC2)cc1
InChIInChI=1S/C27H30FN3O/c1-19-7-9-21(10-8-19)17-26(32)31-27-24(16-11-20-5-3-2-4-6-20)30-25(18-29-27)22-12-14-23(28)15-13-22/h7-10,12-15,18,20H,2-6,11,16-17H2,1H3,(H,29,31,32)
InChIKeyUUAMMQWHRFQPFQ-UHFFFAOYSA-N
XLogP6.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide (CID 143000334) is N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ncc(-c3ccc(F)cc3)nc2CCC2CCCCC2)cc1.
What is the InChIKey of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is UUAMMQWHRFQPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O/c1-19-7-9-21(10-8-19)17-26(32)31-27-24(16-11-20-5-3-2-4-6-20)30-25(18-29-27)22-12-14-23(28)15-13-22/h7-10,12-15,18,20H,2-6,11,16-17H2,1H3,(H,29,31,32).
What are the key properties of N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide?
N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 431.56 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 143000334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).