(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide

C14H21N3O3 — CID 94028765

IUPAC(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCCOc1ncccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H21N3O3/c1-4-19-13-12(6-5-7-15-13)16-14(18)17-8-10(2)20-11(3)9-17/h5-7,10-11H,4,8-9H2,1-3H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyZNRPMAKMGQTXCX-QWRGUYRKSA-N
MW279.34 g/mol
LogP2.12
Rot. Bonds3

About (2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide

(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 94028765) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID94028765
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCCOc1ncccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H21N3O3/c1-4-19-13-12(6-5-7-15-13)16-14(18)17-8-10(2)20-11(3)9-17/h5-7,10-11H,4,8-9H2,1-3H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyZNRPMAKMGQTXCX-QWRGUYRKSA-N
XLogP2.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide (CID 94028765) is (2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide is CCOc1ncccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is ZNRPMAKMGQTXCX-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-19-13-12(6-5-7-15-13)16-14(18)17-8-10(2)20-11(3)9-17/h5-7,10-11H,4,8-9H2,1-3H3,(H,16,18)/t10-,11-/m0/s1.
What are the key properties of (2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide?
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 94028765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).