2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide

C23H25N7O2S — CID 57428391

IUPAC2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide
SMILESO=C(CN1CCC(N2CCNC2=O)CC1)Nc1cc(-c2ccccn2)nc(-c2cccs2)n1
InChIInChI=1S/C23H25N7O2S/c31-21(15-29-10-6-16(7-11-29)30-12-9-25-23(30)32)27-20-14-18(17-4-1-2-8-24-17)26-22(28-20)19-5-3-13-33-19/h1-5,8,13-14,16H,6-7,9-12,15H2,(H,25,32)(H,26,27,28,31)
InChIKeyCYRYWCPQPQMAOL-UHFFFAOYSA-N
MW463.57 g/mol
LogP2.70
Rot. Bonds6

About 2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide

2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide (PubChem CID 57428391) has the molecular formula C23H25N7O2S and a molecular weight of 463.57 g/mol. Its IUPAC name is 2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide
PubChem CID57428391
Molecular FormulaC23H25N7O2S
Molecular Weight463.57 g/mol
Exact Mass463.18
IUPAC Name2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide
SMILESO=C(CN1CCC(N2CCNC2=O)CC1)Nc1cc(-c2ccccn2)nc(-c2cccs2)n1
InChIInChI=1S/C23H25N7O2S/c31-21(15-29-10-6-16(7-11-29)30-12-9-25-23(30)32)27-20-14-18(17-4-1-2-8-24-17)26-22(28-20)19-5-3-13-33-19/h1-5,8,13-14,16H,6-7,9-12,15H2,(H,25,32)(H,26,27,28,31)
InChIKeyCYRYWCPQPQMAOL-UHFFFAOYSA-N
XLogP2.70
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide (CID 57428391) is 2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide is O=C(CN1CCC(N2CCNC2=O)CC1)Nc1cc(-c2ccccn2)nc(-c2cccs2)n1.
What is the InChIKey of 2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide?
The InChIKey is CYRYWCPQPQMAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2S/c31-21(15-29-10-6-16(7-11-29)30-12-9-25-23(30)32)27-20-14-18(17-4-1-2-8-24-17)26-22(28-20)19-5-3-13-33-19/h1-5,8,13-14,16H,6-7,9-12,15H2,(H,25,32)(H,26,27,28,31).
What are the key properties of 2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide?
2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide has a molecular weight of 463.57 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(6-pyridin-2-yl-2-thiophen-2-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 57428391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).