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

C29H27F2N3O3 — CID 67360606

IUPACN-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide
SMILESCCC(NC)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cccc(Oc3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C29H27F2N3O3/c1-3-25(32-2)28(35)33-26-15-16-27(20-7-9-21(30)10-8-20)34(29(26)36)18-19-5-4-6-24(17-19)37-23-13-11-22(31)12-14-23/h4-17,25,32H,3,18H2,1-2H3,(H,33,35)
InChIKeyBCEYTJDBPKAJAY-UHFFFAOYSA-N
MW503.55 g/mol
LogP5.57
Rot. Bonds9

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

N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide (PubChem CID 67360606) has the molecular formula C29H27F2N3O3 and a molecular weight of 503.55 g/mol. Its IUPAC name is N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide
PubChem CID67360606
Molecular FormulaC29H27F2N3O3
Molecular Weight503.55 g/mol
Exact Mass503.20
IUPAC NameN-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide
SMILESCCC(NC)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cccc(Oc3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C29H27F2N3O3/c1-3-25(32-2)28(35)33-26-15-16-27(20-7-9-21(30)10-8-20)34(29(26)36)18-19-5-4-6-24(17-19)37-23-13-11-22(31)12-14-23/h4-17,25,32H,3,18H2,1-2H3,(H,33,35)
InChIKeyBCEYTJDBPKAJAY-UHFFFAOYSA-N
XLogP5.57
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.55
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S)-N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 15985859
N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 67361122
(2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide
CID 15985678
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-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 15985856
N-[1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]propanamide
CID 71091833
(2S)-N-[1-[3-(4-fluorophenoxy)benzoyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 15985860
3-[1-[[3-(4-fluorobenzoyl)phenyl]methyl]-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-2-pyridinyl]-N-methylbenzamide
CID 25106829
(2S)-N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 25106560
(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-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 67361680

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide?
The IUPAC name of N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide (CID 67360606) is N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide.
What is the SMILES notation for N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide?
The canonical SMILES for N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide is CCC(NC)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cccc(Oc3ccc(F)cc3)c2)c1=O.
What is the InChIKey of N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide?
The InChIKey is BCEYTJDBPKAJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N3O3/c1-3-25(32-2)28(35)33-26-15-16-27(20-7-9-21(30)10-8-20)34(29(26)36)18-19-5-4-6-24(17-19)37-23-13-11-22(31)12-14-23/h4-17,25,32H,3,18H2,1-2H3,(H,33,35).
What are the key properties of N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide?
N-[1-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide has a molecular weight of 503.55 g/mol, XLogP of 5.57, 9 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]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)butanamide is sourced from PubChem (CID 67360606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).