2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide

C16H18BrN5O2 — CID 47048563

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H18BrN5O2/c17-12-4-5-15(24)22(9-12)11-14(23)20-13-3-1-8-21(10-13)16-18-6-2-7-19-16/h2,4-7,9,13H,1,3,8,10-11H2,(H,20,23)
InChIKeyLHIMLMSZOWAFTB-UHFFFAOYSA-N
MW392.26 g/mol
LogP1.19
Rot. Bonds4

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide (PubChem CID 47048563) has the molecular formula C16H18BrN5O2 and a molecular weight of 392.26 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
PubChem CID47048563
Molecular FormulaC16H18BrN5O2
Molecular Weight392.26 g/mol
Exact Mass391.06
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H18BrN5O2/c17-12-4-5-15(24)22(9-12)11-14(23)20-13-3-1-8-21(10-13)16-18-6-2-7-19-16/h2,4-7,9,13H,1,3,8,10-11H2,(H,20,23)
InChIKeyLHIMLMSZOWAFTB-UHFFFAOYSA-N
XLogP1.19
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide (CID 47048563) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide is O=C(Cn1cc(Br)ccc1=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The InChIKey is LHIMLMSZOWAFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O2/c17-12-4-5-15(24)22(9-12)11-14(23)20-13-3-1-8-21(10-13)16-18-6-2-7-19-16/h2,4-7,9,13H,1,3,8,10-11H2,(H,20,23).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide has a molecular weight of 392.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide is sourced from PubChem (CID 47048563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).