N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide

C22H24F2N4O2 — CID 52911628

IUPACN-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC2CCC(=O)C3(C2)CN(c2ccc(F)cc2)CC3(C)F)n1
InChIInChI=1S/C22H24F2N4O2/c1-14-25-10-9-18(26-14)20(30)27-16-5-8-19(29)22(11-16)13-28(12-21(22,2)24)17-6-3-15(23)4-7-17/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H,27,30)
InChIKeyGRVFQSNCIXTHGJ-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.01
Rot. Bonds3

About N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide

N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide (PubChem CID 52911628) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide
PubChem CID52911628
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC NameN-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC2CCC(=O)C3(C2)CN(c2ccc(F)cc2)CC3(C)F)n1
InChIInChI=1S/C22H24F2N4O2/c1-14-25-10-9-18(26-14)20(30)27-16-5-8-19(29)22(11-16)13-28(12-21(22,2)24)17-6-3-15(23)4-7-17/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H,27,30)
InChIKeyGRVFQSNCIXTHGJ-UHFFFAOYSA-N
XLogP3.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide
CID 52911691
N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide
CID 67108864
N-[2-(3,5-difluorophenyl)-8-fluoro-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide
CID 67108498
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
2-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-4-carboxamide
CID 166195499
N-[(3R)-1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-2-methylpyrimidine-4-carboxamide
CID 99274195
2-methyl-N-[(1R,3R)-3-[[2-(2-methylimidazol-1-yl)acetyl]amino]cyclohexyl]pyrimidine-4-carboxamide
CID 167956137
N-[(5S,7S)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 67108689
2-(3,5-difluorophenyl)-8-hydroxy-7-[2-(2-methylpyrimidin-4-yl)-2-oxoethyl]-2-azaspiro[4.5]decan-1-one
CID 58237210
6-methyl-N-[(5S,7R)-2-(2-methyl-4-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912120
N-cyclopentyl-1-(4-fluorophenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247039

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide (CID 52911628) is N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)NC2CCC(=O)C3(C2)CN(c2ccc(F)cc2)CC3(C)F)n1.
What is the InChIKey of N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is GRVFQSNCIXTHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-14-25-10-9-18(26-14)20(30)27-16-5-8-19(29)22(11-16)13-28(12-21(22,2)24)17-6-3-15(23)4-7-17/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H,27,30).
What are the key properties of N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide?
N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 52911628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).