N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide

C14H20BrN3O2 — CID 136532871

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide
SMILESCc1nc(NC(=O)N2CCOC(C)(C)C2C)ccc1Br
InChIInChI=1S/C14H20BrN3O2/c1-9-11(15)5-6-12(16-9)17-13(19)18-7-8-20-14(3,4)10(18)2/h5-6,10H,7-8H2,1-4H3,(H,16,17,19)
InChIKeyISGKZQNXGKSKNH-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.18
Rot. Bonds1

About N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide (PubChem CID 136532871) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide
PubChem CID136532871
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide
SMILESCc1nc(NC(=O)N2CCOC(C)(C)C2C)ccc1Br
InChIInChI=1S/C14H20BrN3O2/c1-9-11(15)5-6-12(16-9)17-13(19)18-7-8-20-14(3,4)10(18)2/h5-6,10H,7-8H2,1-4H3,(H,16,17,19)
InChIKeyISGKZQNXGKSKNH-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
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N-(5-bromo-6-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
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N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide (CID 136532871) is N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide is Cc1nc(NC(=O)N2CCOC(C)(C)C2C)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide?
The InChIKey is ISGKZQNXGKSKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-9-11(15)5-6-12(16-9)17-13(19)18-7-8-20-14(3,4)10(18)2/h5-6,10H,7-8H2,1-4H3,(H,16,17,19).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 136532871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).