5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide

C13H16BrN3O3 — CID 115578537

IUPAC5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
SMILESO=C(NCCC(=O)N1CCOCC1)c1cncc(Br)c1
InChIInChI=1S/C13H16BrN3O3/c14-11-7-10(8-15-9-11)13(19)16-2-1-12(18)17-3-5-20-6-4-17/h7-9H,1-6H2,(H,16,19)
InChIKeyWYSMAZFMMRBONM-UHFFFAOYSA-N
MW342.19 g/mol
LogP0.82
Rot. Bonds4

About 5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide

5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide (PubChem CID 115578537) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
PubChem CID115578537
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
SMILESO=C(NCCC(=O)N1CCOCC1)c1cncc(Br)c1
InChIInChI=1S/C13H16BrN3O3/c14-11-7-10(8-15-9-11)13(19)16-2-1-12(18)17-3-5-20-6-4-17/h7-9H,1-6H2,(H,16,19)
InChIKeyWYSMAZFMMRBONM-UHFFFAOYSA-N
XLogP0.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115670843
5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide
CID 6945505
4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide
CID 47159960
5-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 115620341
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 62329650
5-bromo-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 55521520
5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 51120675
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115868328
5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398
3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
CID 115667142

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide (CID 115578537) is 5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide is O=C(NCCC(=O)N1CCOCC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide?
The InChIKey is WYSMAZFMMRBONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c14-11-7-10(8-15-9-11)13(19)16-2-1-12(18)17-3-5-20-6-4-17/h7-9H,1-6H2,(H,16,19).
What are the key properties of 5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide?
5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide has a molecular weight of 342.19 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide is sourced from PubChem (CID 115578537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).