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

C25H27N3O2 — CID 123244301

IUPACN-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ncc(-c2ccc(CO)cc2)nc1C1CCCCC1
InChIInChI=1S/C25H27N3O2/c29-17-19-11-13-20(14-12-19)22-16-26-25(24(27-22)21-9-5-2-6-10-21)28-23(30)15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,16,21,29H,2,5-6,9-10,15,17H2,(H,26,28,30)
InChIKeyKVFQMPGVFLBQJW-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.86
Rot. Bonds6

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

N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide (PubChem CID 123244301) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
PubChem CID123244301
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ncc(-c2ccc(CO)cc2)nc1C1CCCCC1
InChIInChI=1S/C25H27N3O2/c29-17-19-11-13-20(14-12-19)22-16-26-25(24(27-22)21-9-5-2-6-10-21)28-23(30)15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,16,21,29H,2,5-6,9-10,15,17H2,(H,26,28,30)
InChIKeyKVFQMPGVFLBQJW-UHFFFAOYSA-N
XLogP4.86
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide?
The IUPAC name of N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide (CID 123244301) is N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ncc(-c2ccc(CO)cc2)nc1C1CCCCC1.
What is the InChIKey of N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide?
The InChIKey is KVFQMPGVFLBQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-17-19-11-13-20(14-12-19)22-16-26-25(24(27-22)21-9-5-2-6-10-21)28-23(30)15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,16,21,29H,2,5-6,9-10,15,17H2,(H,26,28,30).
What are the key properties of N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide?
N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide has a molecular weight of 401.51 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclohexyl-5-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-2-phenylacetamide is sourced from PubChem (CID 123244301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).