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

C14H20BrN3O2 — CID 164630006

IUPAC(3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide
SMILESCc1nc(NC(=O)N2CCOC(C)(C)[C@@H]2C)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)/t10-/m0/s1
InChIKeyISGKZQNXGKSKNH-JTQLQIEISA-N
MW342.24 g/mol
LogP3.18
Rot. Bonds1

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

(3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide (PubChem CID 164630006) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is (3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide
PubChem CID164630006
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name(3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide
SMILESCc1nc(NC(=O)N2CCOC(C)(C)[C@@H]2C)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)/t10-/m0/s1
InChIKeyISGKZQNXGKSKNH-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide?
The IUPAC name of (3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide (CID 164630006) is (3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide?
The canonical SMILES for (3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide is Cc1nc(NC(=O)N2CCOC(C)(C)[C@@H]2C)ccc1Br.
What is the InChIKey of (3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide?
The InChIKey is ISGKZQNXGKSKNH-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of (3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide?
(3S)-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 (3S)-N-(5-bromo-6-methyl-2-pyridinyl)-2,2,3-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 164630006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).