(3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide

C18H19N3O3 — CID 95985544

IUPAC(3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
SMILESCc1cccnc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19N3O3/c1-13-6-5-9-19-17(13)20-18(23)15-11-24-12-16(22)21(15)10-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,19,20,23)/t15-/m1/s1
InChIKeyBMLNQKOAHZXXRI-OAHLLOKOSA-N
MW325.37 g/mol
LogP1.76
Rot. Bonds4

About (3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide

(3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide (PubChem CID 95985544) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
PubChem CID95985544
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
SMILESCc1cccnc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19N3O3/c1-13-6-5-9-19-17(13)20-18(23)15-11-24-12-16(22)21(15)10-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,19,20,23)/t15-/m1/s1
InChIKeyBMLNQKOAHZXXRI-OAHLLOKOSA-N
XLogP1.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of (3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide (CID 95985544) is (3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide is Cc1cccnc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of (3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is BMLNQKOAHZXXRI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-6-5-9-19-17(13)20-18(23)15-11-24-12-16(22)21(15)10-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,19,20,23)/t15-/m1/s1.
What are the key properties of (3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide?
(3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 95985544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).