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

C28H26FN3O3 — CID 15985859

IUPAC(2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cccc(Oc3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C28H26FN3O3/c1-19(30-2)27(33)31-25-15-16-26(21-8-4-3-5-9-21)32(28(25)34)18-20-7-6-10-24(17-20)35-23-13-11-22(29)12-14-23/h3-17,19,30H,18H2,1-2H3,(H,31,33)/t19-/m0/s1
InChIKeyVVFYZPVNTDMBKC-IBGZPJMESA-N
MW471.53 g/mol
LogP5.04
Rot. Bonds8

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

(2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (PubChem CID 15985859) has the molecular formula C28H26FN3O3 and a molecular weight of 471.53 g/mol. Its IUPAC name is (2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
PubChem CID15985859
Molecular FormulaC28H26FN3O3
Molecular Weight471.53 g/mol
Exact Mass471.20
IUPAC Name(2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cccc(Oc3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C28H26FN3O3/c1-19(30-2)27(33)31-25-15-16-26(21-8-4-3-5-9-21)32(28(25)34)18-20-7-6-10-24(17-20)35-23-13-11-22(29)12-14-23/h3-17,19,30H,18H2,1-2H3,(H,31,33)/t19-/m0/s1
InChIKeyVVFYZPVNTDMBKC-IBGZPJMESA-N
XLogP5.04
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (CID 15985859) is (2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cccc(Oc3ccc(F)cc3)c2)c1=O.
What is the InChIKey of (2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The InChIKey is VVFYZPVNTDMBKC-IBGZPJMESA-N. The full InChI is InChI=1S/C28H26FN3O3/c1-19(30-2)27(33)31-25-15-16-26(21-8-4-3-5-9-21)32(28(25)34)18-20-7-6-10-24(17-20)35-23-13-11-22(29)12-14-23/h3-17,19,30H,18H2,1-2H3,(H,31,33)/t19-/m0/s1.
What are the key properties of (2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
(2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide has a molecular weight of 471.53 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is sourced from PubChem (CID 15985859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).