(4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C23H20FN3O3 — CID 59377593

IUPAC(4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1cc(-c2ccc(C)c(NC(=O)C3=CNC(=O)C[C@H]3c3ccc(F)cc3)c2)no1
InChIInChI=1S/C23H20FN3O3/c1-13-3-4-16(21-9-14(2)30-27-21)10-20(13)26-23(29)19-12-25-22(28)11-18(19)15-5-7-17(24)8-6-15/h3-10,12,18H,11H2,1-2H3,(H,25,28)(H,26,29)/t18-/m0/s1
InChIKeyBSWMGUHPRUIAFZ-SFHVURJKSA-N
MW405.43 g/mol
LogP4.22
Rot. Bonds4

About (4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

(4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 59377593) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID59377593
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name(4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1cc(-c2ccc(C)c(NC(=O)C3=CNC(=O)C[C@H]3c3ccc(F)cc3)c2)no1
InChIInChI=1S/C23H20FN3O3/c1-13-3-4-16(21-9-14(2)30-27-21)10-20(13)26-23(29)19-12-25-22(28)11-18(19)15-5-7-17(24)8-6-15/h3-10,12,18H,11H2,1-2H3,(H,25,28)(H,26,29)/t18-/m0/s1
InChIKeyBSWMGUHPRUIAFZ-SFHVURJKSA-N
XLogP4.22
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of (4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 59377593) is (4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is Cc1cc(-c2ccc(C)c(NC(=O)C3=CNC(=O)C[C@H]3c3ccc(F)cc3)c2)no1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is BSWMGUHPRUIAFZ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-13-3-4-16(21-9-14(2)30-27-21)10-20(13)26-23(29)19-12-25-22(28)11-18(19)15-5-7-17(24)8-6-15/h3-10,12,18H,11H2,1-2H3,(H,25,28)(H,26,29)/t18-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
(4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,2-oxazol-3-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 59377593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).