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

C24H25FN4O3 — CID 67361680

IUPACN-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C24H25FN4O3/c1-16(26-2)23(31)28-20-12-13-21(18-6-4-3-5-7-18)29(24(20)32)15-22(30)27-14-17-8-10-19(25)11-9-17/h3-13,16,26H,14-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyRBYJKUIGAQLBMH-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.52
Rot. Bonds8

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

N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (PubChem CID 67361680) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
PubChem CID67361680
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C24H25FN4O3/c1-16(26-2)23(31)28-20-12-13-21(18-6-4-3-5-7-18)29(24(20)32)15-22(30)27-14-17-8-10-19(25)11-9-17/h3-13,16,26H,14-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyRBYJKUIGAQLBMH-UHFFFAOYSA-N
XLogP2.52
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 58581595
(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)-N-[1-[[3-(4-fluorophenyl)sulfonylphenyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 15985856
N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 67362365
(2S)-N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 25106560
(2S)-N-[1-[2-(1,3-diphenylpropan-2-ylamino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide
CID 25109803
(2S)-2-(methylamino)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-6-phenyl-3-pyridinyl]propanamide
CID 15985678
(2S)-N-[4-[2-(2,3-diphenylpropylamino)-2-oxoethyl]-5-(4-fluorophenyl)-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 68807114
N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 66992592
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]-6-(3-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
CID 25107370

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (CID 67361680) is N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NCc2ccc(F)cc2)c1=O.
What is the InChIKey of N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The InChIKey is RBYJKUIGAQLBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-16(26-2)23(31)28-20-12-13-21(18-6-4-3-5-7-18)29(24(20)32)15-22(30)27-14-17-8-10-19(25)11-9-17/h3-13,16,26H,14-15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide has a molecular weight of 436.49 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is sourced from PubChem (CID 67361680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).