2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide

C26H30ClN5O2 — CID 11730512

IUPAC2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)c(Cl)nc(NCCc2ccccc2)c1=O)NCC1CCNCC1
InChIInChI=1S/C26H30ClN5O2/c27-24-23(21-9-5-2-6-10-21)32(18-22(33)30-17-20-11-14-28-15-12-20)26(34)25(31-24)29-16-13-19-7-3-1-4-8-19/h1-10,20,28H,11-18H2,(H,29,31)(H,30,33)
InChIKeySRGBWECSJYBARW-UHFFFAOYSA-N
MW480.01 g/mol
LogP3.33
Rot. Bonds9

About 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide

2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide (PubChem CID 11730512) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide
PubChem CID11730512
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)c(Cl)nc(NCCc2ccccc2)c1=O)NCC1CCNCC1
InChIInChI=1S/C26H30ClN5O2/c27-24-23(21-9-5-2-6-10-21)32(18-22(33)30-17-20-11-14-28-15-12-20)26(34)25(31-24)29-16-13-19-7-3-1-4-8-19/h1-10,20,28H,11-18H2,(H,29,31)(H,30,33)
InChIKeySRGBWECSJYBARW-UHFFFAOYSA-N
XLogP3.33
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide?
The IUPAC name of 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide (CID 11730512) is 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide is O=C(Cn1c(-c2ccccc2)c(Cl)nc(NCCc2ccccc2)c1=O)NCC1CCNCC1.
What is the InChIKey of 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide?
The InChIKey is SRGBWECSJYBARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c27-24-23(21-9-5-2-6-10-21)32(18-22(33)30-17-20-11-14-28-15-12-20)26(34)25(31-24)29-16-13-19-7-3-1-4-8-19/h1-10,20,28H,11-18H2,(H,29,31)(H,30,33).
What are the key properties of 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide?
2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide has a molecular weight of 480.01 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(piperidin-4-ylmethyl)acetamide is sourced from PubChem (CID 11730512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).