(3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide

C19H21N3O3 — CID 97061432

IUPAC(3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H21N3O3/c1-21(12-16-9-5-6-10-20-16)19(24)17-13-25-14-18(23)22(17)11-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3/t17-/m0/s1
InChIKeyLTGVIEDOIDWOMN-KRWDZBQOSA-N
MW339.39 g/mol
LogP1.47
Rot. Bonds5

About (3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide

(3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide (PubChem CID 97061432) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is (3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide
PubChem CID97061432
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H21N3O3/c1-21(12-16-9-5-6-10-20-16)19(24)17-13-25-14-18(23)22(17)11-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3/t17-/m0/s1
InChIKeyLTGVIEDOIDWOMN-KRWDZBQOSA-N
XLogP1.47
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-oxomorpholine-3-carboxamide
CID 71877736
(3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 95985544
(3S)-4-benzyl-N-ethyl-N-(furan-3-ylmethyl)-5-oxomorpholine-3-carboxamide
CID 97099656
4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
CID 56766002
(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide
CID 97074669
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
(3R)-4-benzyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 95368620
(3S)-4-benzyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-3-carboxamide
CID 97075645
(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 97064438
4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide
CID 71877725

Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide?
The IUPAC name of (3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide (CID 97061432) is (3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide is CN(Cc1ccccn1)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of (3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide?
The InChIKey is LTGVIEDOIDWOMN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21(12-16-9-5-6-10-20-16)19(24)17-13-25-14-18(23)22(17)11-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide?
(3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide is sourced from PubChem (CID 97061432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).