2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide

C16H25BrN4O2 — CID 162432201

IUPAC2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
SMILESCCN1CCC[C@@H](NC(=O)Cn2nc(C(C)C)c(Br)cc2=O)C1
InChIInChI=1S/C16H25BrN4O2/c1-4-20-7-5-6-12(9-20)18-14(22)10-21-15(23)8-13(17)16(19-21)11(2)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,18,22)/t12-/m1/s1
InChIKeyZPRPLTHYOAORDC-GFCCVEGCSA-N
MW385.31 g/mol
LogP1.73
Rot. Bonds5

About 2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide

2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide (PubChem CID 162432201) has the molecular formula C16H25BrN4O2 and a molecular weight of 385.31 g/mol. Its IUPAC name is 2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
PubChem CID162432201
Molecular FormulaC16H25BrN4O2
Molecular Weight385.31 g/mol
Exact Mass384.12
IUPAC Name2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
SMILESCCN1CCC[C@@H](NC(=O)Cn2nc(C(C)C)c(Br)cc2=O)C1
InChIInChI=1S/C16H25BrN4O2/c1-4-20-7-5-6-12(9-20)18-14(22)10-21-15(23)8-13(17)16(19-21)11(2)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,18,22)/t12-/m1/s1
InChIKeyZPRPLTHYOAORDC-GFCCVEGCSA-N
XLogP1.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
The IUPAC name of 2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide (CID 162432201) is 2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide is CCN1CCC[C@@H](NC(=O)Cn2nc(C(C)C)c(Br)cc2=O)C1.
What is the InChIKey of 2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
The InChIKey is ZPRPLTHYOAORDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25BrN4O2/c1-4-20-7-5-6-12(9-20)18-14(22)10-21-15(23)8-13(17)16(19-21)11(2)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,18,22)/t12-/m1/s1.
What are the key properties of 2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide has a molecular weight of 385.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-6-oxo-3-propan-2-ylpyridazin-1-yl)-N-[(3R)-1-ethylpiperidin-3-yl]acetamide is sourced from PubChem (CID 162432201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).