N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide

C26H29N3O2 — CID 123882448

IUPACN-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ncc(-c2ccc(CO)cc2)nc1CC1CCCCC1
InChIInChI=1S/C26H29N3O2/c30-18-21-11-13-22(14-12-21)24-17-27-26(23(28-24)15-19-7-3-1-4-8-19)29-25(31)16-20-9-5-2-6-10-20/h2,5-6,9-14,17,19,30H,1,3-4,7-8,15-16,18H2,(H,27,29,31)
InChIKeyWNQANHKAISDCLV-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.94
Rot. Bonds7

About N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide

N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide (PubChem CID 123882448) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
PubChem CID123882448
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ncc(-c2ccc(CO)cc2)nc1CC1CCCCC1
InChIInChI=1S/C26H29N3O2/c30-18-21-11-13-22(14-12-21)24-17-27-26(23(28-24)15-19-7-3-1-4-8-19)29-25(31)16-20-9-5-2-6-10-20/h2,5-6,9-14,17,19,30H,1,3-4,7-8,15-16,18H2,(H,27,29,31)
InChIKeyWNQANHKAISDCLV-UHFFFAOYSA-N
XLogP4.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]acetamide
CID 123392811
N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 59510395
N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
CID 123244301
2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342
N-[3-(cyclohexylmethyl)-5-phenylpyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123893590
N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-naphthalen-2-ylacetamide
CID 136624996
N-[3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
CID 59510400
N-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 137035124
N-[3-(cyclopentylmethyl)-5-[4-(1-hydroxyethyl)phenyl]pyrazin-2-yl]-2-[4-(oxiran-2-yl)phenyl]acetamide
CID 88905243
N-[3-(2-cyclohexylethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3-methylbutanamide
CID 123781945
N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143000334
N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide;ethane
CID 143000636

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide (CID 123882448) is N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ncc(-c2ccc(CO)cc2)nc1CC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide?
The InChIKey is WNQANHKAISDCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-18-21-11-13-22(14-12-21)24-17-27-26(23(28-24)15-19-7-3-1-4-8-19)29-25(31)16-20-9-5-2-6-10-20/h2,5-6,9-14,17,19,30H,1,3-4,7-8,15-16,18H2,(H,27,29,31).
What are the key properties of N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide?
N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide has a molecular weight of 415.54 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide is sourced from PubChem (CID 123882448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).