2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide

C16H17BrN2O2 — CID 80973094

IUPAC2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
SMILESCCCn1cc(NC(=O)c2cc(C)ccc2Br)ccc1=O
InChIInChI=1S/C16H17BrN2O2/c1-3-8-19-10-12(5-7-15(19)20)18-16(21)13-9-11(2)4-6-14(13)17/h4-7,9-10H,3,8H2,1-2H3,(H,18,21)
InChIKeyALYZCDBXHHXOCS-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.58
Rot. Bonds4

About 2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide

2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide (PubChem CID 80973094) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
PubChem CID80973094
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
SMILESCCCn1cc(NC(=O)c2cc(C)ccc2Br)ccc1=O
InChIInChI=1S/C16H17BrN2O2/c1-3-8-19-10-12(5-7-15(19)20)18-16(21)13-9-11(2)4-6-14(13)17/h4-7,9-10H,3,8H2,1-2H3,(H,18,21)
InChIKeyALYZCDBXHHXOCS-UHFFFAOYSA-N
XLogP3.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 103706931
2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 52658974
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
2-bromo-N-(1-ethylpyrazol-4-yl)-5-methylbenzamide
CID 80979734
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 64524894
4-(dimethylamino)-3-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 51096607
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide (CID 80973094) is 2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide is CCCn1cc(NC(=O)c2cc(C)ccc2Br)ccc1=O.
What is the InChIKey of 2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The InChIKey is ALYZCDBXHHXOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-8-19-10-12(5-7-15(19)20)18-16(21)13-9-11(2)4-6-14(13)17/h4-7,9-10H,3,8H2,1-2H3,(H,18,21).
What are the key properties of 2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide has a molecular weight of 349.23 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide is sourced from PubChem (CID 80973094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).