(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

C25H26FN3O3 — CID 42502735

IUPAC(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O
InChIInChI=1S/C25H26FN3O3/c1-27(2)16-17-28(18-19-8-4-3-5-9-19)25(32)23(29-15-7-6-10-22(29)30)24(31)20-11-13-21(26)14-12-20/h3-15,23H,16-18H2,1-2H3/t23-/m1/s1
InChIKeyQLQIOWBXRHLYMD-HSZRJFAPSA-N
MW435.50 g/mol
LogP3.00
Rot. Bonds9

About (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (PubChem CID 42502735) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
PubChem CID42502735
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O
InChIInChI=1S/C25H26FN3O3/c1-27(2)16-17-28(18-19-8-4-3-5-9-19)25(32)23(29-15-7-6-10-22(29)30)24(31)20-11-13-21(26)14-12-20/h3-15,23H,16-18H2,1-2H3/t23-/m1/s1
InChIKeyQLQIOWBXRHLYMD-HSZRJFAPSA-N
XLogP3.00
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
CID 7297791
N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 51362607
(2R)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenyl-N,N-bis(prop-2-enyl)propanamide
CID 7233719
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-3-(4-bromophenyl)-N-butyl-3-oxopropanamide
CID 3616676
(2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 7324233
N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 5149295
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
(2S)-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide
CID 7323647
N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 3963036
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide
CID 60559393
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (CID 42502735) is (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is CN(C)CCN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O.
What is the InChIKey of (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is QLQIOWBXRHLYMD-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-27(2)16-17-28(18-19-8-4-3-5-9-19)25(32)23(29-15-7-6-10-22(29)30)24(31)20-11-13-21(26)14-12-20/h3-15,23H,16-18H2,1-2H3/t23-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 435.50 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 42502735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).