2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide

C25H27BrN2O2 — CID 123240301

IUPAC2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
SMILESCOc1ccc(Br)cc1C(CC(C)C)C(=O)Nc1ccc(-c2ccnc(C)c2)cc1
InChIInChI=1S/C25H27BrN2O2/c1-16(2)13-23(22-15-20(26)7-10-24(22)30-4)25(29)28-21-8-5-18(6-9-21)19-11-12-27-17(3)14-19/h5-12,14-16,23H,13H2,1-4H3,(H,28,29)
InChIKeyGCOKPLXLMXQIGO-UHFFFAOYSA-N
MW467.41 g/mol
LogP6.60
Rot. Bonds7

About 2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide

2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide (PubChem CID 123240301) has the molecular formula C25H27BrN2O2 and a molecular weight of 467.41 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
PubChem CID123240301
Molecular FormulaC25H27BrN2O2
Molecular Weight467.41 g/mol
Exact Mass466.13
IUPAC Name2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
SMILESCOc1ccc(Br)cc1C(CC(C)C)C(=O)Nc1ccc(-c2ccnc(C)c2)cc1
InChIInChI=1S/C25H27BrN2O2/c1-16(2)13-23(22-15-20(26)7-10-24(22)30-4)25(29)28-21-8-5-18(6-9-21)19-11-12-27-17(3)14-19/h5-12,14-16,23H,13H2,1-4H3,(H,28,29)
InChIKeyGCOKPLXLMXQIGO-UHFFFAOYSA-N
XLogP6.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.41
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
CID 67309518
2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123982115
2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 58335435
2-(2,3-dimethoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67309182
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053113
2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308427
4-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]benzamide
CID 42640422
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 67308184
2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67309019
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide (CID 123240301) is 2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide is COc1ccc(Br)cc1C(CC(C)C)C(=O)Nc1ccc(-c2ccnc(C)c2)cc1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The InChIKey is GCOKPLXLMXQIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2O2/c1-16(2)13-23(22-15-20(26)7-10-24(22)30-4)25(29)28-21-8-5-18(6-9-21)19-11-12-27-17(3)14-19/h5-12,14-16,23H,13H2,1-4H3,(H,28,29).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide has a molecular weight of 467.41 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide is sourced from PubChem (CID 123240301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).