5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid

C13H18BrN3O3 — CID 114400346

IUPAC5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCCN1CCOC(CNc2ncc(Br)cc2C(=O)O)C1
InChIInChI=1S/C13H18BrN3O3/c1-2-17-3-4-20-10(8-17)7-16-12-11(13(18)19)5-9(14)6-15-12/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeySGRZJUUIEWIAPY-UHFFFAOYSA-N
MW344.21 g/mol
LogP1.67
Rot. Bonds5

About 5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid

5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114400346) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID114400346
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCCN1CCOC(CNc2ncc(Br)cc2C(=O)O)C1
InChIInChI=1S/C13H18BrN3O3/c1-2-17-3-4-20-10(8-17)7-16-12-11(13(18)19)5-9(14)6-15-12/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeySGRZJUUIEWIAPY-UHFFFAOYSA-N
XLogP1.67
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 114401197
5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114401101
5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114106055
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
7-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-1,5-naphthyridin-4-amine
CID 116646580
2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid
CID 114400372
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136958124
4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid
CID 114401232
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid (CID 114400346) is 5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid is CCN1CCOC(CNc2ncc(Br)cc2C(=O)O)C1.
What is the InChIKey of 5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is SGRZJUUIEWIAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c1-2-17-3-4-20-10(8-17)7-16-12-11(13(18)19)5-9(14)6-15-12/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 344.21 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114400346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).