5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide

C17H19BrN2O2 — CID 99873826

IUPAC5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide
SMILESC[C@](O)(CCc1ccccc1)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-17(22,8-7-13-5-3-2-4-6-13)12-20-16(21)14-9-15(18)11-19-10-14/h2-6,9-11,22H,7-8,12H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyUISOTBXZEPRXPC-KRWDZBQOSA-N
MW363.26 g/mol
LogP2.96
Rot. Bonds6

About 5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide

5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide (PubChem CID 99873826) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide
PubChem CID99873826
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide
SMILESC[C@](O)(CCc1ccccc1)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-17(22,8-7-13-5-3-2-4-6-13)12-20-16(21)14-9-15(18)11-19-10-14/h2-6,9-11,22H,7-8,12H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyUISOTBXZEPRXPC-KRWDZBQOSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 65111151
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide
CID 99873823
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
5-bromo-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 97317759
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
CID 90498496
2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498520
5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63865625
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide
CID 90498459

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide (CID 99873826) is 5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide is C[C@](O)(CCc1ccccc1)CNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide?
The InChIKey is UISOTBXZEPRXPC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-17(22,8-7-13-5-3-2-4-6-13)12-20-16(21)14-9-15(18)11-19-10-14/h2-6,9-11,22H,7-8,12H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide?
5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 99873826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).