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

C28H26FN3O3 — CID 67361122

IUPACN-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(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)
InChIKeyVVFYZPVNTDMBKC-UHFFFAOYSA-N
MW471.53 g/mol
LogP5.04
Rot. Bonds8

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

N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (PubChem CID 67361122) has the molecular formula C28H26FN3O3 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
PubChem CID67361122
Molecular FormulaC28H26FN3O3
Molecular Weight471.53 g/mol
Exact Mass471.20
IUPAC NameN-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(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)
InChIKeyVVFYZPVNTDMBKC-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 15985859
(2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide
CID 15985678
N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide
CID 67360606
3-[1-[[3-fluoro-5-(4-fluorophenoxy)phenyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N-methylbenzamide
CID 66992363
(2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 15985860
(2S)-N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 25106560
3-[1-[[3-(4-fluorobenzoyl)phenyl]methyl]-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-2-pyridinyl]-N-methylbenzamide
CID 25106829
N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 67361680
(2R)-N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-[3-(hydroxymethyl)phenyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
CID 59200220
(2S)-N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(3-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
CID 25107370
N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 66992592
(2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
CID 59200241

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (CID 67361122) is N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cccc(Oc3ccc(F)cc3)c2)c1=O.
What is the InChIKey of N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The InChIKey is VVFYZPVNTDMBKC-UHFFFAOYSA-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).
What are the key properties of N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
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 N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is sourced from PubChem (CID 67361122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).