(2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide

C24H24N4O3 — CID 92618504

IUPAC(2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
SMILESO=C(c1ccncc1)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C24H24N4O3/c29-22(20-9-12-25-13-10-20)28-14-15-31-24(18-28,16-21-8-4-5-11-26-21)23(30)27-17-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,30)/t24-/m0/s1
InChIKeyLCISDAHRJQONMA-DEOSSOPVSA-N
MW416.48 g/mol
LogP2.25
Rot. Bonds6

About (2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide

(2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide (PubChem CID 92618504) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is (2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
PubChem CID92618504
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name(2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
SMILESO=C(c1ccncc1)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C24H24N4O3/c29-22(20-9-12-25-13-10-20)28-14-15-31-24(18-28,16-21-8-4-5-11-26-21)23(30)27-17-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,30)/t24-/m0/s1
InChIKeyLCISDAHRJQONMA-DEOSSOPVSA-N
XLogP2.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-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

N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 110253807
(2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 92618507
N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 110088626
(2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide
CID 92592685
(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574060
(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592677
N-ethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232858
(2S)-4-(pyridine-4-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92571548
N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232882
(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610136
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
(2S)-N-ethyl-2-[(2-phenylphenyl)methyl]-4-(pyrazine-2-carbonyl)morpholine-2-carboxamide
CID 92592708

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide (CID 92618504) is (2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide is O=C(c1ccncc1)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1.
What is the InChIKey of (2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The InChIKey is LCISDAHRJQONMA-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-22(20-9-12-25-13-10-20)28-14-15-31-24(18-28,16-21-8-4-5-11-26-21)23(30)27-17-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,30)/t24-/m0/s1.
What are the key properties of (2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
(2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 92618504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).