3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide

C15H21BrN2O2 — CID 99704157

IUPAC3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide
SMILESC[C@](CO)(NC(=O)c1ccncc1Br)C1CCCCC1
InChIInChI=1S/C15H21BrN2O2/c1-15(10-19,11-5-3-2-4-6-11)18-14(20)12-7-8-17-9-13(12)16/h7-9,11,19H,2-6,10H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyKQJOQNCHHXLVHY-OAHLLOKOSA-N
MW341.25 g/mol
LogP2.91
Rot. Bonds4

About 3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide

3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide (PubChem CID 99704157) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide
PubChem CID99704157
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide
SMILESC[C@](CO)(NC(=O)c1ccncc1Br)C1CCCCC1
InChIInChI=1S/C15H21BrN2O2/c1-15(10-19,11-5-3-2-4-6-11)18-14(20)12-7-8-17-9-13(12)16/h7-9,11,19H,2-6,10H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyKQJOQNCHHXLVHY-OAHLLOKOSA-N
XLogP2.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 91660588
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea
CID 138042025
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 99704160
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883
3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 131049000
N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide
CID 99827233
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide
CID 99704493
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
CID 97002318
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide
CID 97246294
N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 119034453
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 122145092

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide (CID 99704157) is 3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide is C[C@](CO)(NC(=O)c1ccncc1Br)C1CCCCC1.
What is the InChIKey of 3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide?
The InChIKey is KQJOQNCHHXLVHY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-15(10-19,11-5-3-2-4-6-11)18-14(20)12-7-8-17-9-13(12)16/h7-9,11,19H,2-6,10H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of 3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide?
3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 99704157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).