N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide

C20H27N3O2 — CID 143000514

IUPACN-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ncc(-c2ccc(OC)cc2)nc1CC(C)C
InChIInChI=1S/C20H27N3O2/c1-6-14(4)20(24)23-19-17(11-13(2)3)22-18(12-21-19)15-7-9-16(25-5)10-8-15/h7-10,12-14H,6,11H2,1-5H3,(H,21,23,24)
InChIKeyGXIOLBAMZYBUNX-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.34
Rot. Bonds7

About N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide

N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide (PubChem CID 143000514) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide
PubChem CID143000514
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ncc(-c2ccc(OC)cc2)nc1CC(C)C
InChIInChI=1S/C20H27N3O2/c1-6-14(4)20(24)23-19-17(11-13(2)3)22-18(12-21-19)15-7-9-16(25-5)10-8-15/h7-10,12-14H,6,11H2,1-5H3,(H,21,23,24)
InChIKeyGXIOLBAMZYBUNX-UHFFFAOYSA-N
XLogP4.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide
CID 123843502
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide
CID 136624987
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
N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 123569135
2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide
CID 143000180
N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide
CID 123965461
N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
CID 59510400
N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide
CID 143000408
N-[5-(4-aminophenyl)-3-(2,3-dihydrothiophen-2-yl)pyrazin-2-yl]-2-methylbutanamide
CID 89009470
N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide
CID 53112310
N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine
CID 164902389
[4-[4-(4-methoxyphenyl)phenyl]phenyl] 2-methylbutanoate
CID 22974655

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide (CID 143000514) is N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide is CCC(C)C(=O)Nc1ncc(-c2ccc(OC)cc2)nc1CC(C)C.
What is the InChIKey of N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide?
The InChIKey is GXIOLBAMZYBUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-6-14(4)20(24)23-19-17(11-13(2)3)22-18(12-21-19)15-7-9-16(25-5)10-8-15/h7-10,12-14H,6,11H2,1-5H3,(H,21,23,24).
What are the key properties of N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide?
N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide has a molecular weight of 341.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide is sourced from PubChem (CID 143000514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).