(2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide

C28H24FN3O4 — CID 15985860

IUPAC(2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(C(=O)c2cccc(Oc3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C28H24FN3O4/c1-18(30-2)26(33)31-24-15-16-25(19-7-4-3-5-8-19)32(28(24)35)27(34)20-9-6-10-23(17-20)36-22-13-11-21(29)12-14-22/h3-18,30H,1-2H3,(H,31,33)/t18-/m0/s1
InChIKeyDXKGERZQZOHAAR-SFHVURJKSA-N
MW485.52 g/mol
LogP4.68
Rot. Bonds7

About (2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide

(2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (PubChem CID 15985860) has the molecular formula C28H24FN3O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is (2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
PubChem CID15985860
Molecular FormulaC28H24FN3O4
Molecular Weight485.52 g/mol
Exact Mass485.18
IUPAC Name(2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(C(=O)c2cccc(Oc3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C28H24FN3O4/c1-18(30-2)26(33)31-24-15-16-25(19-7-4-3-5-8-19)32(28(24)35)27(34)20-9-6-10-23(17-20)36-22-13-11-21(29)12-14-22/h3-18,30H,1-2H3,(H,31,33)/t18-/m0/s1
InChIKeyDXKGERZQZOHAAR-SFHVURJKSA-N
XLogP4.68
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (CID 15985860) is (2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(C(=O)c2cccc(Oc3ccc(F)cc3)c2)c1=O.
What is the InChIKey of (2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The InChIKey is DXKGERZQZOHAAR-SFHVURJKSA-N. The full InChI is InChI=1S/C28H24FN3O4/c1-18(30-2)26(33)31-24-15-16-25(19-7-4-3-5-8-19)32(28(24)35)27(34)20-9-6-10-23(17-20)36-22-13-11-21(29)12-14-22/h3-18,30H,1-2H3,(H,31,33)/t18-/m0/s1.
What are the key properties of (2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
(2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide has a molecular weight of 485.52 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is sourced from PubChem (CID 15985860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).