N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide

C21H27N3O2 — CID 136625002

IUPACN-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1
InChIInChI=1S/C21H27N3O2/c1-14(2)11-20(26)24-21-18(12-15-5-3-4-6-15)23-19(13-22-21)16-7-9-17(25)10-8-16/h7-10,13-15,25H,3-6,11-12H2,1-2H3,(H,22,24,26)
InChIKeyYKKRWSULEIKOJB-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.57
Rot. Bonds6

About N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide

N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide (PubChem CID 136625002) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
PubChem CID136625002
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1
InChIInChI=1S/C21H27N3O2/c1-14(2)11-20(26)24-21-18(12-15-5-3-4-6-15)23-19(13-22-21)16-7-9-17(25)10-8-16/h7-10,13-15,25H,3-6,11-12H2,1-2H3,(H,22,24,26)
InChIKeyYKKRWSULEIKOJB-UHFFFAOYSA-N
XLogP4.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342
N-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 137035124
N-[5-(4-aminophenyl)-3-(2-cyclohexylethyl)pyrazin-2-yl]-3-methylbutanamide
CID 89009351
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
N-[3-(2-cyclohexylethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3-methylbutanamide
CID 123781945
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
CID 136624996
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
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-[3-(cyclopentylmethyl)-5-[4-(1-hydroxyethyl)phenyl]pyrazin-2-yl]-2-[4-(oxiran-2-yl)phenyl]acetamide
CID 88905243
2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide
CID 123392811
N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123882448

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide?
The IUPAC name of N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide (CID 136625002) is N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1.
What is the InChIKey of N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide?
The InChIKey is YKKRWSULEIKOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)11-20(26)24-21-18(12-15-5-3-4-6-15)23-19(13-22-21)16-7-9-17(25)10-8-16/h7-10,13-15,25H,3-6,11-12H2,1-2H3,(H,22,24,26).
What are the key properties of N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide?
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide has a molecular weight of 353.47 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-methylbutanamide is sourced from PubChem (CID 136625002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).