6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide

C21H26BrN3O2 — CID 86847145

IUPAC6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
SMILESCOCCN1CCC(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)CC1
InChIInChI=1S/C21H26BrN3O2/c1-15-19(6-7-20(23-15)16-4-3-5-17(22)14-16)21(26)24-18-8-10-25(11-9-18)12-13-27-2/h3-7,14,18H,8-13H2,1-2H3,(H,24,26)
InChIKeyPSRGRILIIPMMTR-UHFFFAOYSA-N
MW432.36 g/mol
LogP3.66
Rot. Bonds6

About 6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide

6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide (PubChem CID 86847145) has the molecular formula C21H26BrN3O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
PubChem CID86847145
Molecular FormulaC21H26BrN3O2
Molecular Weight432.36 g/mol
Exact Mass431.12
IUPAC Name6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
SMILESCOCCN1CCC(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)CC1
InChIInChI=1S/C21H26BrN3O2/c1-15-19(6-7-20(23-15)16-4-3-5-17(22)14-16)21(26)24-18-8-10-25(11-9-18)12-13-27-2/h3-7,14,18H,8-13H2,1-2H3,(H,24,26)
InChIKeyPSRGRILIIPMMTR-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 86964115
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229
4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide
CID 154739599
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 55590657
(2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide
CID 96517354
6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 27017500
6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 27286760
6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55584860
6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 27285916

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide (CID 86847145) is 6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide is COCCN1CCC(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)CC1.
What is the InChIKey of 6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is PSRGRILIIPMMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O2/c1-15-19(6-7-20(23-15)16-4-3-5-17(22)14-16)21(26)24-18-8-10-25(11-9-18)12-13-27-2/h3-7,14,18H,8-13H2,1-2H3,(H,24,26).
What are the key properties of 6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide?
6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 432.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 86847145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).