N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide

C26H21F2N5O3 — CID 67318591

IUPACN-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cnc(-c2ccc(F)cc2)n(-c2cncc(C(=O)c3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C26H21F2N5O3/c1-15(29-2)25(35)32-22-14-31-24(17-5-9-20(28)10-6-17)33(26(22)36)21-11-18(12-30-13-21)23(34)16-3-7-19(27)8-4-16/h3-15,29H,1-2H3,(H,32,35)
InChIKeyVJVVXIBTAIDWMD-UHFFFAOYSA-N
MW489.48 g/mol
LogP3.35
Rot. Bonds7

About N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide

N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide (PubChem CID 67318591) has the molecular formula C26H21F2N5O3 and a molecular weight of 489.48 g/mol. Its IUPAC name is N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide
PubChem CID67318591
Molecular FormulaC26H21F2N5O3
Molecular Weight489.48 g/mol
Exact Mass489.16
IUPAC NameN-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cnc(-c2ccc(F)cc2)n(-c2cncc(C(=O)c3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C26H21F2N5O3/c1-15(29-2)25(35)32-22-14-31-24(17-5-9-20(28)10-6-17)33(26(22)36)21-11-18(12-30-13-21)23(34)16-3-7-19(27)8-4-16/h3-15,29H,1-2H3,(H,32,35)
InChIKeyVJVVXIBTAIDWMD-UHFFFAOYSA-N
XLogP3.35
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
CID 66992702
(2S)-N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
CID 25106560
(2S)-N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(3-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
CID 25107370
(2R)-N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-[3-(hydroxymethyl)phenyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
CID 59200220
3-[1-[[3-(4-fluorobenzoyl)-5-pyrrolidin-1-ylphenyl]methyl]-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxopyrimidin-2-yl]-N,4-dimethylbenzamide
CID 59510645
(2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
CID 59200241
3-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-5-[2-(methylamino)propanoylamino]-6-oxo-2-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 66992129
N-[1-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide
CID 67318480
(2S)-N-[1-[2-(1,3-diphenylpropan-2-ylamino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide
CID 25109803
3-[1-[[3-(4-fluorobenzoyl)-5-pyrrolidin-1-ylphenyl]methyl]-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxopyrimidin-2-yl]-N,2-dimethylbenzamide
CID 59510632
(2S)-N-[6-(cyclohexen-1-yl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
CID 66992373
3-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxopyrazin-2-yl]-N-methylbenzamide
CID 25109225

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide (CID 67318591) is N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1cnc(-c2ccc(F)cc2)n(-c2cncc(C(=O)c3ccc(F)cc3)c2)c1=O.
What is the InChIKey of N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide?
The InChIKey is VJVVXIBTAIDWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O3/c1-15(29-2)25(35)32-22-14-31-24(17-5-9-20(28)10-6-17)33(26(22)36)21-11-18(12-30-13-21)23(34)16-3-7-19(27)8-4-16/h3-15,29H,1-2H3,(H,32,35).
What are the key properties of N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide?
N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide has a molecular weight of 489.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorobenzoyl)-3-pyridinyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 67318591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).