N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C27H22FN3O3 — CID 55917067

IUPACN-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H22FN3O3/c1-17(18-9-13-22(14-10-18)30-25(32)20-7-11-21(28)12-8-20)29-26(33)23-15-16-24(31-27(23)34)19-5-3-2-4-6-19/h2-17H,1H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyHDBZGSCQOVHMRN-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.92
Rot. Bonds6

About N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 55917067) has the molecular formula C27H22FN3O3 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID55917067
Molecular FormulaC27H22FN3O3
Molecular Weight455.49 g/mol
Exact Mass455.16
IUPAC NameN-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H22FN3O3/c1-17(18-9-13-22(14-10-18)30-25(32)20-7-11-21(28)12-8-20)29-26(33)23-15-16-24(31-27(23)34)19-5-3-2-4-6-19/h2-17H,1H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyHDBZGSCQOVHMRN-UHFFFAOYSA-N
XLogP4.92
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 138041610
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
N-(3,4-difluorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497927
2-oxo-6-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95975984
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
CID 119744059
4-chloro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide
CID 15955648
2-oxo-6-phenyl-N-(4-propylphenyl)-1H-pyridine-3-carboxamide
CID 112830494
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 55917067) is N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is HDBZGSCQOVHMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3O3/c1-17(18-9-13-22(14-10-18)30-25(32)20-7-11-21(28)12-8-20)29-26(33)23-15-16-24(31-27(23)34)19-5-3-2-4-6-19/h2-17H,1H3,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55917067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).