N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C21H18F2N2O2 — CID 86998208

IUPACN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C21H18F2N2O2/c1-13(17-12-15(22)8-10-18(17)23)25(2)21(27)16-9-11-19(24-20(16)26)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,26)
InChIKeyALBOZEKFKFBFBZ-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.15
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 86998208) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID86998208
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C21H18F2N2O2/c1-13(17-12-15(22)8-10-18(17)23)25(2)21(27)16-9-11-19(24-20(16)26)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,26)
InChIKeyALBOZEKFKFBFBZ-UHFFFAOYSA-N
XLogP4.15
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46588913
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 46591635
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide
CID 95068212
N-(2-hydroxyethyl)-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 110893883
N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645773
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86925789
3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 75404213
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62637683
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 86998208) is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is CC(c1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is ALBOZEKFKFBFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-13(17-12-15(22)8-10-18(17)23)25(2)21(27)16-9-11-19(24-20(16)26)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86998208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).