(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide

C18H20ClN3O3 — CID 7317030

IUPAC(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide
SMILESCN(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)/t16-/m0/s1
InChIKeyXYJFKVMLEXATPE-INIZCTEOSA-N
MW361.83 g/mol
LogP1.60
Rot. Bonds7

About (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide

(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide (PubChem CID 7317030) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide
PubChem CID7317030
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide
SMILESCN(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)/t16-/m0/s1
InChIKeyXYJFKVMLEXATPE-INIZCTEOSA-N
XLogP1.60
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide
CID 3973125
2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium
CID 7317027
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 7317635
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide
CID 7277060
3-[[(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxopropanoyl]amino]propyl-diethylazanium
CID 7233778
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
1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 3672824
N-benzyl-1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-ethylpiperidine-4-carboxamide
CID 3906182
(2S)-N-benzyl-2-(5-chloro-2-oxo-1-pyridinyl)-N-methyl-3-(3-nitrophenyl)-3-oxopropanamide
CID 41201131
methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate
CID 82347407
(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 (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide?
The IUPAC name of (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide (CID 7317030) is (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide?
The canonical SMILES for (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide is CN(C)CCNC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O.
What is the InChIKey of (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide?
The InChIKey is XYJFKVMLEXATPE-INIZCTEOSA-N. 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)/t16-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide?
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide has a molecular weight of 361.83 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 7317030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).