N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide

C22H23N3O — CID 123843502

IUPACN-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ncc(-c2ccccc2)nc1Cc1ccccc1
InChIInChI=1S/C22H23N3O/c1-3-16(2)22(26)25-21-19(14-17-10-6-4-7-11-17)24-20(15-23-21)18-12-8-5-9-13-18/h4-13,15-16H,3,14H2,1-2H3,(H,23,25,26)
InChIKeyJUVZZDROGCTXIH-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.72
Rot. Bonds6

About N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide

N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide (PubChem CID 123843502) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide
PubChem CID123843502
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ncc(-c2ccccc2)nc1Cc1ccccc1
InChIInChI=1S/C22H23N3O/c1-3-16(2)22(26)25-21-19(14-17-10-6-4-7-11-17)24-20(15-23-21)18-12-8-5-9-13-18/h4-13,15-16H,3,14H2,1-2H3,(H,23,25,26)
InChIKeyJUVZZDROGCTXIH-UHFFFAOYSA-N
XLogP4.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzyl-5-phenylpyrazin-2-yl)acetamide
CID 10851965
methyl 2-[(3-benzyl-5-phenylpyrazin-2-yl)amino]prop-2-enoate
CID 130356647
N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide
CID 143000514
N-[3-benzyl-5-(4-methylphenyl)pyrazin-2-yl]octanamide
CID 101152388
ethyl 2-[(3-benzyl-5-phenylpyrazin-2-yl)amino]-3-(2-fluorophenyl)propanoate
CID 135364839
1-[(3-benzyl-5-phenylpyrazin-2-yl)amino]-1-diethoxyphosphorylpropan-2-one
CID 130318386
ethyl 2-[(3-benzyl-5-phenylpyrazin-2-yl)amino]-3-(3-fluorophenyl)propanoate
CID 135364802
2-[(3-benzyl-5-phenylpyrazin-2-yl)amino]-3-(3-methylphenyl)propanoic acid
CID 135364460
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide
CID 136624987
ethyl 2-[(3-benzyl-5-phenylpyrazin-2-yl)amino]-3-cyclopentylpropanoate
CID 135364945
ethyl (2S)-2-[[3-benzyl-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]amino]-3-phenylpropanoate
CID 142461565
N-[3-benzyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123596741

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide?
The IUPAC name of N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide (CID 123843502) is N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide.
What is the SMILES notation for N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide?
The canonical SMILES for N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide is CCC(C)C(=O)Nc1ncc(-c2ccccc2)nc1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide?
The InChIKey is JUVZZDROGCTXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-16(2)22(26)25-21-19(14-17-10-6-4-7-11-17)24-20(15-23-21)18-12-8-5-9-13-18/h4-13,15-16H,3,14H2,1-2H3,(H,23,25,26).
What are the key properties of N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide?
N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide has a molecular weight of 345.45 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide is sourced from PubChem (CID 123843502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).