N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide

C21H26N4O2 — CID 143000408

IUPACN-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ncc(-c2ccc(N=O)cc2)nc1C1CCCCC1
InChIInChI=1S/C21H26N4O2/c1-3-14(2)21(26)24-20-19(16-7-5-4-6-8-16)23-18(13-22-20)15-9-11-17(25-27)12-10-15/h9-14,16H,3-8H2,1-2H3,(H,22,24,26)
InChIKeyIMQGSYBHSBZSSX-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.57
Rot. Bonds6

About N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide

N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide (PubChem CID 143000408) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide
PubChem CID143000408
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ncc(-c2ccc(N=O)cc2)nc1C1CCCCC1
InChIInChI=1S/C21H26N4O2/c1-3-14(2)21(26)24-20-19(16-7-5-4-6-8-16)23-18(13-22-20)15-9-11-17(25-27)12-10-15/h9-14,16H,3-8H2,1-2H3,(H,22,24,26)
InChIKeyIMQGSYBHSBZSSX-UHFFFAOYSA-N
XLogP5.57
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide
CID 136624987
N-[5-(4-aminophenyl)-3-(2,3-dihydrothiophen-2-yl)pyrazin-2-yl]-2-methylbutanamide
CID 89009470
N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123244301
N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 123435419
N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide
CID 123843502
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
N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide
CID 123965461
2-(4-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-5-(4-nitrosophenyl)pyrazin-2-yl]acetamide
CID 143001007
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
CID 136625002
N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide
CID 89009351
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-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide?
The IUPAC name of N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide (CID 143000408) is N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide.
What is the SMILES notation for N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide?
The canonical SMILES for N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide is CCC(C)C(=O)Nc1ncc(-c2ccc(N=O)cc2)nc1C1CCCCC1.
What is the InChIKey of N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide?
The InChIKey is IMQGSYBHSBZSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-14(2)21(26)24-20-19(16-7-5-4-6-8-16)23-18(13-22-20)15-9-11-17(25-27)12-10-15/h9-14,16H,3-8H2,1-2H3,(H,22,24,26).
What are the key properties of N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide?
N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide has a molecular weight of 366.47 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclohexyl-5-(4-nitrosophenyl)pyrazin-2-yl]-2-methylbutanamide is sourced from PubChem (CID 143000408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).