2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium

C18H21ClN3O3+ — CID 7317027

IUPAC2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C18H20ClN3O3/c1-21(2)11-10-20-18(25)16(17(24)13-6-4-3-5-7-13)22-12-14(19)8-9-15(22)23/h3-9,12,16H,10-11H2,1-2H3,(H,20,25)/p+1/t16-/m1/s1
InChIKeyXYJFKVMLEXATPE-MRXNPFEDSA-O
MW362.84 g/mol
LogP0.19
Rot. Bonds7

About 2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium

2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium (PubChem CID 7317027) has the molecular formula C18H21ClN3O3+ and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium
PubChem CID7317027
Molecular FormulaC18H21ClN3O3+
Molecular Weight362.84 g/mol
Exact Mass362.13
IUPAC Name2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C18H20ClN3O3/c1-21(2)11-10-20-18(25)16(17(24)13-6-4-3-5-7-13)22-12-14(19)8-9-15(22)23/h3-9,12,16H,10-11H2,1-2H3,(H,20,25)/p+1/t16-/m1/s1
InChIKeyXYJFKVMLEXATPE-MRXNPFEDSA-O
XLogP0.19
TPSA72.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium with MolForge

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Launch Full Analysis

Related Compounds

2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide
CID 3973125
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide
CID 7317030
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 7317635
2-[[(2S)-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]amino]ethyl-dimethylazanium
CID 7233749
2-[[(2R)-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]amino]ethyl-dimethylazanium
CID 7233747
3-[[(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxopropanoyl]amino]propyl-diethylazanium
CID 7233778
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide
CID 7277060
2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
CID 3519572
2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 3160495
2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride
CID 18531817
1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 3672824
(2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 7324233

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium (CID 7317027) is 2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium is C[NH+](C)CCNC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O.
What is the InChIKey of 2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
The InChIKey is XYJFKVMLEXATPE-MRXNPFEDSA-O. The full InChI is InChI=1S/C18H20ClN3O3/c1-21(2)11-10-20-18(25)16(17(24)13-6-4-3-5-7-13)22-12-14(19)8-9-15(22)23/h3-9,12,16H,10-11H2,1-2H3,(H,20,25)/p+1/t16-/m1/s1.
What are the key properties of 2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium has a molecular weight of 362.84 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7317027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).