6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide

C20H25BrN2O2 — CID 55590657

IUPAC6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1ccc(-c2cccc(Br)c2)nc1C
InChIInChI=1S/C20H25BrN2O2/c1-14(2)13-23(10-11-25-4)20(24)18-8-9-19(22-15(18)3)16-6-5-7-17(21)12-16/h5-9,12,14H,10-11,13H2,1-4H3
InChIKeyLKAVBMVUCWHDKD-UHFFFAOYSA-N
MW405.34 g/mol
LogP4.56
Rot. Bonds7

About 6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide

6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 55590657) has the molecular formula C20H25BrN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID55590657
Molecular FormulaC20H25BrN2O2
Molecular Weight405.34 g/mol
Exact Mass404.11
IUPAC Name6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1ccc(-c2cccc(Br)c2)nc1C
InChIInChI=1S/C20H25BrN2O2/c1-14(2)13-23(10-11-25-4)20(24)18-8-9-19(22-15(18)3)16-6-5-7-17(21)12-16/h5-9,12,14H,10-11,13H2,1-4H3
InChIKeyLKAVBMVUCWHDKD-UHFFFAOYSA-N
XLogP4.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methoxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 86912287
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide
CID 39428114
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368
N-(2-methoxyethyl)-1,3-dimethyl-N-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32954817
3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide
CID 61105794
6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 86847145
6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 27017500
5-amino-N-(2-methoxyethyl)-2,4-dimethyl-N-(2-methylpropyl)benzamide
CID 102705195
6-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 113323490

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide (CID 55590657) is 6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide is COCCN(CC(C)C)C(=O)c1ccc(-c2cccc(Br)c2)nc1C.
What is the InChIKey of 6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is LKAVBMVUCWHDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O2/c1-14(2)13-23(10-11-25-4)20(24)18-8-9-19(22-15(18)3)16-6-5-7-17(21)12-16/h5-9,12,14H,10-11,13H2,1-4H3.
What are the key properties of 6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 405.34 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 55590657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).