N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C16H17BrN2O2 — CID 71849189

IUPACN-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCC(NC(=O)c1c[nH]c(C)cc1=O)c1ccccc1Br
InChIInChI=1S/C16H17BrN2O2/c1-3-14(11-6-4-5-7-13(11)17)19-16(21)12-9-18-10(2)8-15(12)20/h4-9,14H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLVTHDVOJGIJRLM-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.33
Rot. Bonds4

About N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 71849189) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID71849189
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCC(NC(=O)c1c[nH]c(C)cc1=O)c1ccccc1Br
InChIInChI=1S/C16H17BrN2O2/c1-3-14(11-6-4-5-7-13(11)17)19-16(21)12-9-18-10(2)8-15(12)20/h4-9,14H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLVTHDVOJGIJRLM-UHFFFAOYSA-N
XLogP3.33
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
CID 103718209
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 95906203
6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide
CID 75375675
methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 113429223
N-[(1R)-1-(2-methoxyphenyl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976267
6-methyl-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 110856546
N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696527
N-[1-(diethylamino)propan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718100
N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 90091418
N-(2-amino-2-phenylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806521
N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247214

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 71849189) is N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCC(NC(=O)c1c[nH]c(C)cc1=O)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LVTHDVOJGIJRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-14(11-6-4-5-7-13(11)17)19-16(21)12-9-18-10(2)8-15(12)20/h4-9,14H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71849189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).