N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide

C19H21FN2O3 — CID 3924958

IUPACN-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide
SMILESCc1ccc(=O)n(C(C(=O)NC(C)(C)C)C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O3/c1-12-5-10-15(23)22(11-12)16(18(25)21-19(2,3)4)17(24)13-6-8-14(20)9-7-13/h5-11,16H,1-4H3,(H,21,25)
InChIKeyVFZLQBDOTGACIQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.63
Rot. Bonds4

About N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide

N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide (PubChem CID 3924958) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide
PubChem CID3924958
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide
SMILESCc1ccc(=O)n(C(C(=O)NC(C)(C)C)C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O3/c1-12-5-10-15(23)22(11-12)16(18(25)21-19(2,3)4)17(24)13-6-8-14(20)9-7-13/h5-11,16H,1-4H3,(H,21,25)
InChIKeyVFZLQBDOTGACIQ-UHFFFAOYSA-N
XLogP2.63
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide?
The IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide (CID 3924958) is N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide.
What is the SMILES notation for N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide?
The canonical SMILES for N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide is Cc1ccc(=O)n(C(C(=O)NC(C)(C)C)C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide?
The InChIKey is VFZLQBDOTGACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12-5-10-15(23)22(11-12)16(18(25)21-19(2,3)4)17(24)13-6-8-14(20)9-7-13/h5-11,16H,1-4H3,(H,21,25).
What are the key properties of N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide?
N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide has a molecular weight of 344.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide is sourced from PubChem (CID 3924958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).