(2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide

C20H24N3O3+ — CID 8830923

IUPAC(2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(=O)c1ccc[n+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-15(23-9-3-4-17(14-23)16(2)24)20(25)21-18-5-7-19(8-6-18)22-10-12-26-13-11-22/h3-9,14-15H,10-13H2,1-2H3/p+1/t15-/m1/s1
InChIKeyBXELQIDQYQFFFZ-OAHLLOKOSA-O
MW354.43 g/mol
LogP2.21
Rot. Bonds5

About (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide

(2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 8830923) has the molecular formula C20H24N3O3+ and a molecular weight of 354.43 g/mol. Its IUPAC name is (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID8830923
Molecular FormulaC20H24N3O3+
Molecular Weight354.43 g/mol
Exact Mass354.18
IUPAC Name(2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(=O)c1ccc[n+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-15(23-9-3-4-17(14-23)16(2)24)20(25)21-18-5-7-19(8-6-18)22-10-12-26-13-11-22/h3-9,14-15H,10-13H2,1-2H3/p+1/t15-/m1/s1
InChIKeyBXELQIDQYQFFFZ-OAHLLOKOSA-O
XLogP2.21
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide 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

(2S)-2-(3-acetylpyridin-1-ium-1-yl)-N-phenylpropanamide
CID 8830820
(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 8717770
(2S)-2-(3-acetylpyridin-1-ium-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 8830953
(2S)-N-(4-acetylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)propanamide
CID 8773398
(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 8773605
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
(2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 8858744
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7376547
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990427
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
1-(4-acetylphenyl)-3-(4-morpholin-4-ylphenyl)thiourea chloride
CID 53351041

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide (CID 8830923) is (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide is CC(=O)c1ccc[n+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is BXELQIDQYQFFFZ-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H23N3O3/c1-15(23-9-3-4-17(14-23)16(2)24)20(25)21-18-5-7-19(8-6-18)22-10-12-26-13-11-22/h3-9,14-15H,10-13H2,1-2H3/p+1/t15-/m1/s1.
What are the key properties of (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
(2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 354.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 8830923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).