(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide

C23H23BrN2O — CID 123178305

IUPAC(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
SMILESCCC[C@H](C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(Br)c1
InChIInChI=1S/C23H23BrN2O/c1-3-5-22(19-6-4-7-20(24)15-19)23(27)26-21-10-8-17(9-11-21)18-12-13-25-16(2)14-18/h4,6-15,22H,3,5H2,1-2H3,(H,26,27)/t22-/m0/s1
InChIKeyFDZVOSWVAVOQSC-QFIPXVFZSA-N
MW423.35 g/mol
LogP6.34
Rot. Bonds6

About (2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide

(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide (PubChem CID 123178305) has the molecular formula C23H23BrN2O and a molecular weight of 423.35 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
PubChem CID123178305
Molecular FormulaC23H23BrN2O
Molecular Weight423.35 g/mol
Exact Mass422.10
IUPAC Name(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
SMILESCCC[C@H](C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(Br)c1
InChIInChI=1S/C23H23BrN2O/c1-3-5-22(19-6-4-7-20(24)15-19)23(27)26-21-10-8-17(9-11-21)18-12-13-25-16(2)14-18/h4,6-15,22H,3,5H2,1-2H3,(H,26,27)/t22-/m0/s1
InChIKeyFDZVOSWVAVOQSC-QFIPXVFZSA-N
XLogP6.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.35
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide
CID 42638599
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-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123240301
2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67309019
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 58335435
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
(2R)-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide
CID 67308603
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide
CID 67308595
1-[1-(3-cyanophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053091
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide (CID 123178305) is (2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide is CCC[C@H](C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(Br)c1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The InChIKey is FDZVOSWVAVOQSC-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23BrN2O/c1-3-5-22(19-6-4-7-20(24)15-19)23(27)26-21-10-8-17(9-11-21)18-12-13-25-16(2)14-18/h4,6-15,22H,3,5H2,1-2H3,(H,26,27)/t22-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide has a molecular weight of 423.35 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide is sourced from PubChem (CID 123178305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).