6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide

C16H17BrN2O2 — CID 110887368

IUPAC6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)NC(C)CO
InChIInChI=1S/C16H17BrN2O2/c1-10(9-20)18-16(21)14-6-7-15(19-11(14)2)12-4-3-5-13(17)8-12/h3-8,10,20H,9H2,1-2H3,(H,18,21)
InChIKeyBWWBUQVPLKIJOX-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.93
Rot. Bonds4

About 6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide

6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide (PubChem CID 110887368) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
PubChem CID110887368
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)NC(C)CO
InChIInChI=1S/C16H17BrN2O2/c1-10(9-20)18-16(21)14-6-7-15(19-11(14)2)12-4-3-5-13(17)8-12/h3-8,10,20H,9H2,1-2H3,(H,18,21)
InChIKeyBWWBUQVPLKIJOX-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78856776
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 120508416
6-(3-bromophenyl)-N-(2,5-difluorophenyl)-2-methylpyridine-3-carboxamide
CID 27005490
6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 27286760
6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 43042066
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 27649715
6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 27017500
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 46494521
6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 55590657

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide (CID 110887368) is 6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NC(C)CO.
What is the InChIKey of 6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is BWWBUQVPLKIJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10(9-20)18-16(21)14-6-7-15(19-11(14)2)12-4-3-5-13(17)8-12/h3-8,10,20H,9H2,1-2H3,(H,18,21).
What are the key properties of 6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide?
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 110887368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).