3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide

C17H19BrN2O3 — CID 99802209

IUPAC3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc([C@H](O)CNC(=O)c2ncccc2Br)cc1
InChIInChI=1S/C17H19BrN2O3/c1-11(2)23-13-7-5-12(6-8-13)15(21)10-20-17(22)16-14(18)4-3-9-19-16/h3-9,11,15,21H,10H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyUFFNMWZQJXHZFW-OAHLLOKOSA-N
MW379.25 g/mol
LogP3.09
Rot. Bonds6

About 3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide

3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 99802209) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID99802209
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc([C@H](O)CNC(=O)c2ncccc2Br)cc1
InChIInChI=1S/C17H19BrN2O3/c1-11(2)23-13-7-5-12(6-8-13)15(21)10-20-17(22)16-14(18)4-3-9-19-16/h3-9,11,15,21H,10H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyUFFNMWZQJXHZFW-OAHLLOKOSA-N
XLogP3.09
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide 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

3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111422693
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 111422767
(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
CID 107526242
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 111109292
3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 107517083
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide (CID 99802209) is 3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide is CC(C)Oc1ccc([C@H](O)CNC(=O)c2ncccc2Br)cc1.
What is the InChIKey of 3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is UFFNMWZQJXHZFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-11(2)23-13-7-5-12(6-8-13)15(21)10-20-17(22)16-14(18)4-3-9-19-16/h3-9,11,15,21H,10H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide?
3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 99802209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).