(2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

C25H31N3O3 — CID 92551794

IUPAC(2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H31N3O3/c1-24(2,3)23(30)28-13-14-31-25(17-28,22(29)27-21-7-8-21)16-18-5-4-6-20(15-18)19-9-11-26-12-10-19/h4-6,9-12,15,21H,7-8,13-14,16-17H2,1-3H3,(H,27,29)/t25-/m1/s1
InChIKeyWKYQHXUHQLKORK-RUZDIDTESA-N
MW421.54 g/mol
LogP3.21
Rot. Bonds5

About (2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92551794) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92551794
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name(2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H31N3O3/c1-24(2,3)23(30)28-13-14-31-25(17-28,22(29)27-21-7-8-21)16-18-5-4-6-20(15-18)19-9-11-26-12-10-19/h4-6,9-12,15,21H,7-8,13-14,16-17H2,1-3H3,(H,27,29)/t25-/m1/s1
InChIKeyWKYQHXUHQLKORK-RUZDIDTESA-N
XLogP3.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]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-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233032
(2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578984
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553097
(2S)-N-cyclopropyl-4-(2-methoxyacetyl)-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92558344
N-methyl-4-[2-(4-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233019
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099
(2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 92553084
N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233020
(2S)-4-(3-methylbutanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578987
(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574060
(2S)-4-(3-phenylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574627
(2S)-4-(2,2-dimethylpropanoyl)-N-methyl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849030

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (CID 92551794) is (2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is CC(C)(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1.
What is the InChIKey of (2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is WKYQHXUHQLKORK-RUZDIDTESA-N. The full InChI is InChI=1S/C25H31N3O3/c1-24(2,3)23(30)28-13-14-31-25(17-28,22(29)27-21-7-8-21)16-18-5-4-6-20(15-18)19-9-11-26-12-10-19/h4-6,9-12,15,21H,7-8,13-14,16-17H2,1-3H3,(H,27,29)/t25-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92551794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).