1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C17H19BrN4O4 — CID 55637893

IUPAC1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)Cn3cc(Br)ccc3=O)CC2)no1
InChIInChI=1S/C17H19BrN4O4/c1-11-8-14(20-26-11)19-17(25)12-4-6-21(7-5-12)16(24)10-22-9-13(18)2-3-15(22)23/h2-3,8-9,12H,4-7,10H2,1H3,(H,19,20,25)
InChIKeyROTJKBHWPRMJJZ-UHFFFAOYSA-N
MW423.27 g/mol
LogP1.78
Rot. Bonds4

About 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 55637893) has the molecular formula C17H19BrN4O4 and a molecular weight of 423.27 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID55637893
Molecular FormulaC17H19BrN4O4
Molecular Weight423.27 g/mol
Exact Mass422.06
IUPAC Name1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)Cn3cc(Br)ccc3=O)CC2)no1
InChIInChI=1S/C17H19BrN4O4/c1-11-8-14(20-26-11)19-17(25)12-4-6-21(7-5-12)16(24)10-22-9-13(18)2-3-15(22)23/h2-3,8-9,12H,4-7,10H2,1H3,(H,19,20,25)
InChIKeyROTJKBHWPRMJJZ-UHFFFAOYSA-N
XLogP1.78
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700740
1-[3-(2-methoxyphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55526497
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 39702422
1-[3-(furan-2-carbonylamino)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39701754
1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55788479
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 39700752
1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 75463174
1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150712

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 55637893) is 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)Cn3cc(Br)ccc3=O)CC2)no1.
What is the InChIKey of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is ROTJKBHWPRMJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O4/c1-11-8-14(20-26-11)19-17(25)12-4-6-21(7-5-12)16(24)10-22-9-13(18)2-3-15(22)23/h2-3,8-9,12H,4-7,10H2,1H3,(H,19,20,25).
What are the key properties of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 423.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55637893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).