5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide

C12H17BrN3O2+ — CID 6945505

IUPAC5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)c1cncc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c13-11-7-10(8-14-9-11)12(17)15-1-2-16-3-5-18-6-4-16/h7-9H,1-6H2,(H,15,17)/p+1
InChIKeyHRJAFCAVJHVTOR-UHFFFAOYSA-O
MW315.19 g/mol
LogP-0.51
Rot. Bonds4

About 5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide

5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide (PubChem CID 6945505) has the molecular formula C12H17BrN3O2+ and a molecular weight of 315.19 g/mol. Its IUPAC name is 5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide
PubChem CID6945505
Molecular FormulaC12H17BrN3O2+
Molecular Weight315.19 g/mol
Exact Mass314.05
IUPAC Name5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)c1cncc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c13-11-7-10(8-14-9-11)12(17)15-1-2-16-3-5-18-6-4-16/h7-9H,1-6H2,(H,15,17)/p+1
InChIKeyHRJAFCAVJHVTOR-UHFFFAOYSA-O
XLogP-0.51
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115578537
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 62329650
5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
CID 119408157
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
5-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103709015
5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8968923
5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
CID 60628479
5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 115769193
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide (CID 6945505) is 5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide is O=C(NCC[NH+]1CCOCC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is HRJAFCAVJHVTOR-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H16BrN3O2/c13-11-7-10(8-14-9-11)12(17)15-1-2-16-3-5-18-6-4-16/h7-9H,1-6H2,(H,15,17)/p+1.
What are the key properties of 5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide?
5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 315.19 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 6945505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).