(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

Analyze (2S)-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

5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione
CID 71462630
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 4883663
2-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2920816
N-[1-Methylcarbamoyl-2-(3-phenoxy-phenyl)-vinyl]-benzamide
CID 5440493
{6-(3-tert-Butoxy-phenyl)-2-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10077327
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 67142962
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidine-2,4-dione
CID 67144509
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 91824785
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 118246707
2(1H)-Pyridinone, 5-ethyl-3-(((3-methoxyphenyl)methyl)amino)-6-methyl-
CID 454362
(E)-3-(2,5-dimethoxyphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide
CID 2438689
N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide
CID 3000200

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).