N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C22H19F2N3O3 — CID 55790410

IUPACN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N3O3/c1-12-4-3-5-13(10-12)18-9-7-15(20(28)26-18)21(29)27-19(22(30)25-2)14-6-8-16(23)17(24)11-14/h3-11,19H,1-2H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyAJUNGFXTMHPUNZ-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.85
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 55790410) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID55790410
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N3O3/c1-12-4-3-5-13(10-12)18-9-7-15(20(28)26-18)21(29)27-19(22(30)25-2)14-6-8-16(23)17(24)11-14/h3-11,19H,1-2H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyAJUNGFXTMHPUNZ-UHFFFAOYSA-N
XLogP2.85
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide
CID 78834572
N-[1-(4-methoxyphenyl)propyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55756377
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 138041610
N-[1-(2-chlorophenyl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757705
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 78841466
3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55760671
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 55502073
N-[1-(1-benzofuran-2-yl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757137
N-(3,4-difluorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497927
N-[4-(methanesulfonamido)phenyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55791169
6-(3-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976774

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 55790410) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AJUNGFXTMHPUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c1-12-4-3-5-13(10-12)18-9-7-15(20(28)26-18)21(29)27-19(22(30)25-2)14-6-8-16(23)17(24)11-14/h3-11,19H,1-2H3,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55790410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).