5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide

C12H16BrN3O2 — CID 49094737

IUPAC5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCOC(CNC(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H16BrN3O2/c1-16-2-3-18-11(8-16)7-15-12(17)9-4-10(13)6-14-5-9/h4-6,11H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyFLLGGKQDSZZQLP-UHFFFAOYSA-N
MW314.18 g/mol
LogP0.90
Rot. Bonds3

About 5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide

5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 49094737) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID49094737
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCOC(CNC(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H16BrN3O2/c1-16-2-3-18-11(8-16)7-15-12(17)9-4-10(13)6-14-5-9/h4-6,11H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyFLLGGKQDSZZQLP-UHFFFAOYSA-N
XLogP0.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
6-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49093596
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 62329650
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
CID 107031927
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-5-carboxamide
CID 136525043
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
CID 114148085

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide (CID 49094737) is 5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide is CN1CCOC(CNC(=O)c2cncc(Br)c2)C1.
What is the InChIKey of 5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is FLLGGKQDSZZQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-16-2-3-18-11(8-16)7-15-12(17)9-4-10(13)6-14-5-9/h4-6,11H,2-3,7-8H2,1H3,(H,15,17).
What are the key properties of 5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide?
5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 49094737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).