6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide

C23H23BrN2O3 — CID 27017500

IUPAC6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1OC
InChIInChI=1S/C23H23BrN2O3/c1-15-19(8-9-20(26-15)17-5-4-6-18(24)14-17)23(27)25-12-11-16-7-10-21(28-2)22(13-16)29-3/h4-10,13-14H,11-12H2,1-3H3,(H,25,27)
InChIKeyILJALGFRPAIPPN-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.81
Rot. Bonds7

About 6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide

6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide (PubChem CID 27017500) has the molecular formula C23H23BrN2O3 and a molecular weight of 455.35 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
PubChem CID27017500
Molecular FormulaC23H23BrN2O3
Molecular Weight455.35 g/mol
Exact Mass454.09
IUPAC Name6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1OC
InChIInChI=1S/C23H23BrN2O3/c1-15-19(8-9-20(26-15)17-5-4-6-18(24)14-17)23(27)25-12-11-16-7-10-21(28-2)22(13-16)29-3/h4-10,13-14H,11-12H2,1-3H3,(H,25,27)
InChIKeyILJALGFRPAIPPN-UHFFFAOYSA-N
XLogP4.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 27286760
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 27285916
1-[2-(3-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891452
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648353
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 100510766
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 27757163
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 46494521
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
methyl 4-[2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]ethyl]benzoate
CID 36776567
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4-trimethylbenzamide
CID 4730559
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide (CID 27017500) is 6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1OC.
What is the InChIKey of 6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide?
The InChIKey is ILJALGFRPAIPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O3/c1-15-19(8-9-20(26-15)17-5-4-6-18(24)14-17)23(27)25-12-11-16-7-10-21(28-2)22(13-16)29-3/h4-10,13-14H,11-12H2,1-3H3,(H,25,27).
What are the key properties of 6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide?
6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide has a molecular weight of 455.35 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 27017500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).