N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride

C18H22ClN3O3 — CID 6603566

IUPACN-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride
SMILESCN(C)CCNC(=O)C(C(=O)c1ccccc1)n1ccccc1=O.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-20(2)13-11-19-18(24)16(21-12-7-6-10-15(21)22)17(23)14-8-4-3-5-9-14;/h3-10,12,16H,11,13H2,1-2H3,(H,19,24);1H
InChIKeyJRBIQIPKEPOOGA-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.37
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride

N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride (PubChem CID 6603566) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride
PubChem CID6603566
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride
SMILESCN(C)CCNC(=O)C(C(=O)c1ccccc1)n1ccccc1=O.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-20(2)13-11-19-18(24)16(21-12-7-6-10-15(21)22)17(23)14-8-4-3-5-9-14;/h3-10,12,16H,11,13H2,1-2H3,(H,19,24);1H
InChIKeyJRBIQIPKEPOOGA-UHFFFAOYSA-N
XLogP1.37
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.37
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

4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
(2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformamido)propanamide
CID 9948720
N-benzoyl-phenylalanyl-glycine-nitrile
CID 11702265
N-isopropyl-N-[3-(methylamino)-1,4-dioxo-1,4-dihydro-2-naphthalenyl]propanamide
CID 5165162
3-fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155522753
N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]benzamide
CID 155523848
2-fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155539986
N-[1-(benzylamino)-3-methyl-1-oxobut-2-en-2-yl]benzamide
CID 739165
N-Cyclopentyl-2-[4-(4-methyl-benzoyl)-piperidin-1-yl]-acetamide
CID 1438298
N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 2097244
2-(2-oxopyridin-1(2H)-yl)-1-phenyl-3-(piperidin-1-yl)propane-1,3-dione
CID 3160493

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride (CID 6603566) is N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride is CN(C)CCNC(=O)C(C(=O)c1ccccc1)n1ccccc1=O.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is JRBIQIPKEPOOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c1-20(2)13-11-19-18(24)16(21-12-7-6-10-15(21)22)17(23)14-8-4-3-5-9-14;/h3-10,12,16H,11,13H2,1-2H3,(H,19,24);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 6603566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).