(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide

C18H19N3O4 — CID 97064438

IUPAC(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide
SMILESCOc1ccncc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19N3O4/c1-24-16-7-8-19-9-14(16)20-18(23)15-11-25-12-17(22)21(15)10-13-5-3-2-4-6-13/h2-9,15H,10-12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyGKPKDDAMGDZNKJ-HNNXBMFYSA-N
MW341.37 g/mol
LogP1.46
Rot. Bonds5

About (3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide

(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide (PubChem CID 97064438) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide
PubChem CID97064438
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide
SMILESCOc1ccncc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19N3O4/c1-24-16-7-8-19-9-14(16)20-18(23)15-11-25-12-17(22)21(15)10-13-5-3-2-4-6-13/h2-9,15H,10-12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyGKPKDDAMGDZNKJ-HNNXBMFYSA-N
XLogP1.46
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of (3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide (CID 97064438) is (3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide is COc1ccncc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of (3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is GKPKDDAMGDZNKJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-16-7-8-19-9-14(16)20-18(23)15-11-25-12-17(22)21(15)10-13-5-3-2-4-6-13/h2-9,15H,10-12H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide?
(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 97064438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).