N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide

C17H16FN3O3 — CID 177328844

IUPACN-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide
SMILESCc1ccc(C(=O)C(NC=O)n2ccc(C3CC3)nc2=O)cc1F
InChIInChI=1S/C17H16FN3O3/c1-10-2-3-12(8-13(10)18)15(23)16(19-9-22)21-7-6-14(11-4-5-11)20-17(21)24/h2-3,6-9,11,16H,4-5H2,1H3,(H,19,22)
InChIKeyXWMKMSSWYVDXHO-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.70
Rot. Bonds6

About N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide

N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide (PubChem CID 177328844) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide
PubChem CID177328844
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC NameN-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide
SMILESCc1ccc(C(=O)C(NC=O)n2ccc(C3CC3)nc2=O)cc1F
InChIInChI=1S/C17H16FN3O3/c1-10-2-3-12(8-13(10)18)15(23)16(19-9-22)21-7-6-14(11-4-5-11)20-17(21)24/h2-3,6-9,11,16H,4-5H2,1H3,(H,19,22)
InChIKeyXWMKMSSWYVDXHO-UHFFFAOYSA-N
XLogP1.70
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide 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

N-[1-(7-cyclopropyl-2-oxopyrrolo[2,3-d]pyrimidin-3-yl)-2-(4-fluorophenyl)-2-oxoethyl]formamide
CID 171099076
N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide
CID 171099145
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
CID 177328680
N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
CID 177328706
N-[2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide
CID 177328762
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3,5-difluoro-4-methylphenyl)-2-oxoethyl]formamide
CID 177328764
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3,4-difluorophenyl)-2-oxoethyl]formamide
CID 177328768
N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide
CID 177328855
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(4-fluorophenyl)-2-oxoethyl]formamide
CID 177328858
N-[1-[4-[(1S,2R)-2-fluorocyclopropyl]-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
CID 177328860
CID 178834654
CID 178834654
1-[2-(2,4-Difluorophenyl)-2-oxoethyl]-4-methylpyrimidin-2-one
CID 114217411

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide?
The IUPAC name of N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide (CID 177328844) is N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide.
What is the SMILES notation for N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide?
The canonical SMILES for N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide is Cc1ccc(C(=O)C(NC=O)n2ccc(C3CC3)nc2=O)cc1F.
What is the InChIKey of N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide?
The InChIKey is XWMKMSSWYVDXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-10-2-3-12(8-13(10)18)15(23)16(19-9-22)21-7-6-14(11-4-5-11)20-17(21)24/h2-3,6-9,11,16H,4-5H2,1H3,(H,19,22).
What are the key properties of N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide?
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide has a molecular weight of 329.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide is sourced from PubChem (CID 177328844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).