2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide

C24H31FN4O2 — CID 124993117

IUPAC2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc([C@H]2CCCN(C(=O)CC(C)C)C2)nc(C)c1CC(=O)Nc1ccccc1F
InChIInChI=1S/C24H31FN4O2/c1-15(2)12-23(31)29-11-7-8-18(14-29)24-26-16(3)19(17(4)27-24)13-22(30)28-21-10-6-5-9-20(21)25/h5-6,9-10,15,18H,7-8,11-14H2,1-4H3,(H,28,30)/t18-/m0/s1
InChIKeyPVFGNXQILJKZFY-SFHVURJKSA-N
MW426.54 g/mol
LogP4.17
Rot. Bonds6

About 2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide

2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 124993117) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID124993117
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc([C@H]2CCCN(C(=O)CC(C)C)C2)nc(C)c1CC(=O)Nc1ccccc1F
InChIInChI=1S/C24H31FN4O2/c1-15(2)12-23(31)29-11-7-8-18(14-29)24-26-16(3)19(17(4)27-24)13-22(30)28-21-10-6-5-9-20(21)25/h5-6,9-10,15,18H,7-8,11-14H2,1-4H3,(H,28,30)/t18-/m0/s1
InChIKeyPVFGNXQILJKZFY-SFHVURJKSA-N
XLogP4.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110083343
2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 125009020
2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 125022057
2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 124957751
2-[4,6-dimethyl-2-[(3R)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 125011438
2-[2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylacetamide
CID 110088408
2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
CID 124997788
2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
CID 110083293
N-cyclopropyl-2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083297
2-[2-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylacetamide
CID 124961099
N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125021463
N-(2-fluorophenyl)-4-methyl-2-[(3S)-1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806054

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 124993117) is 2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide is Cc1nc([C@H]2CCCN(C(=O)CC(C)C)C2)nc(C)c1CC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is PVFGNXQILJKZFY-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-15(2)12-23(31)29-11-7-8-18(14-29)24-26-16(3)19(17(4)27-24)13-22(30)28-21-10-6-5-9-20(21)25/h5-6,9-10,15,18H,7-8,11-14H2,1-4H3,(H,28,30)/t18-/m0/s1.
What are the key properties of 2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 124993117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).