5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide

C20H24BrN3O2 — CID 51940397

IUPAC5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H24BrN3O2/c1-14-11-24(12-15(2)26-14)13-17-5-3-16(4-6-17)8-23-20(25)18-7-19(21)10-22-9-18/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,23,25)/t14-,15+
InChIKeyICRUAOLBKNCHLM-GASCZTMLSA-N
MW418.34 g/mol
LogP3.38
Rot. Bonds5

About 5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide

5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 51940397) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID51940397
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H24BrN3O2/c1-14-11-24(12-15(2)26-14)13-17-5-3-16(4-6-17)8-23-20(25)18-7-19(21)10-22-9-18/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,23,25)/t14-,15+
InChIKeyICRUAOLBKNCHLM-GASCZTMLSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 60508500
4-bromo-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564776
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795528
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 46417255
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 51940382
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46417237
5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 120641589
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
CID 104960940
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55637077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide (CID 51940397) is 5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide is C[C@@H]1CN(Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@H](C)O1.
What is the InChIKey of 5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is ICRUAOLBKNCHLM-GASCZTMLSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-14-11-24(12-15(2)26-14)13-17-5-3-16(4-6-17)8-23-20(25)18-7-19(21)10-22-9-18/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,23,25)/t14-,15+.
What are the key properties of 5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide?
5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 418.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 51940397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).