N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide

C20H18F2N4O2 — CID 135960543

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N4O2/c1-11(14-7-6-13(21)9-16(14)22)24-18(27)10-15-12(2)25-19(26-20(15)28)17-5-3-4-8-23-17/h3-9,11H,10H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyQXGADALZFJRLHL-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.84
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide (PubChem CID 135960543) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
PubChem CID135960543
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N4O2/c1-11(14-7-6-13(21)9-16(14)22)24-18(27)10-15-12(2)25-19(26-20(15)28)17-5-3-4-8-23-17/h3-9,11H,10H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyQXGADALZFJRLHL-UHFFFAOYSA-N
XLogP2.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 136872605
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 135960467
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
CID 136872611
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 136902573
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26371826
N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55581907
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7514907
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide (CID 135960543) is N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide is Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide?
The InChIKey is QXGADALZFJRLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-11(14-7-6-13(21)9-16(14)22)24-18(27)10-15-12(2)25-19(26-20(15)28)17-5-3-4-8-23-17/h3-9,11H,10H2,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide has a molecular weight of 384.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135960543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).