2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide

C24H26BrN3O — CID 58335435

IUPAC2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
SMILESCc1cc(-c2ccc(NC(=O)C(CC(C)C)Nc3ccccc3Br)cc2)ccn1
InChIInChI=1S/C24H26BrN3O/c1-16(2)14-23(28-22-7-5-4-6-21(22)25)24(29)27-20-10-8-18(9-11-20)19-12-13-26-17(3)15-19/h4-13,15-16,23,28H,14H2,1-3H3,(H,27,29)
InChIKeyZIAOGUAQOAGTDP-UHFFFAOYSA-N
MW452.40 g/mol
LogP6.28
Rot. Bonds7

About 2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide

2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide (PubChem CID 58335435) has the molecular formula C24H26BrN3O and a molecular weight of 452.40 g/mol. Its IUPAC name is 2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
PubChem CID58335435
Molecular FormulaC24H26BrN3O
Molecular Weight452.40 g/mol
Exact Mass451.13
IUPAC Name2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
SMILESCc1cc(-c2ccc(NC(=O)C(CC(C)C)Nc3ccccc3Br)cc2)ccn1
InChIInChI=1S/C24H26BrN3O/c1-16(2)14-23(28-22-7-5-4-6-21(22)25)24(29)27-20-10-8-18(9-11-20)19-12-13-26-17(3)15-19/h4-13,15-16,23,28H,14H2,1-3H3,(H,27,29)
InChIKeyZIAOGUAQOAGTDP-UHFFFAOYSA-N
XLogP6.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.40
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
(2R)-2-(3-fluoro-4-phenylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67307773
2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123240301
(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123178305
1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053045
2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide
CID 42638599
2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67309019
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide
CID 67308595
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 67308184
2-(2-bromoanilino)-N-phenylpropanamide
CID 43083790

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The IUPAC name of 2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide (CID 58335435) is 2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide.
What is the SMILES notation for 2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The canonical SMILES for 2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide is Cc1cc(-c2ccc(NC(=O)C(CC(C)C)Nc3ccccc3Br)cc2)ccn1.
What is the InChIKey of 2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The InChIKey is ZIAOGUAQOAGTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O/c1-16(2)14-23(28-22-7-5-4-6-21(22)25)24(29)27-20-10-8-18(9-11-20)19-12-13-26-17(3)15-19/h4-13,15-16,23,28H,14H2,1-3H3,(H,27,29).
What are the key properties of 2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide has a molecular weight of 452.40 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide is sourced from PubChem (CID 58335435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).