2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide

C17H17FN4O2 — CID 90323012

IUPAC2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nc(N2CCC(=O)CC2)ncc1-c1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C17H17FN4O2/c1-10-14(11-2-3-15(18)13(8-11)16(19)24)9-20-17(21-10)22-6-4-12(23)5-7-22/h2-3,8-9H,4-7H2,1H3,(H2,19,24)
InChIKeyXXHZGQSOYMLGHQ-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.86
Rot. Bonds3

About 2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide

2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 90323012) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID90323012
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nc(N2CCC(=O)CC2)ncc1-c1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C17H17FN4O2/c1-10-14(11-2-3-15(18)13(8-11)16(19)24)9-20-17(21-10)22-6-4-12(23)5-7-22/h2-3,8-9H,4-7H2,1H3,(H2,19,24)
InChIKeyXXHZGQSOYMLGHQ-UHFFFAOYSA-N
XLogP1.86
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide
CID 90322943
2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide
CID 134467314
4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
CID 56693229
ethane;2-fluoro-5-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-methyl-3-pyridinyl]benzamide
CID 144693916
5-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 134623243
4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 171989063
N-(3,4-difluorophenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 50795519
5-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-(4-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]-2-fluorobenzamide
CID 139392846
1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine
CID 103278594
2-fluoro-5-pyridin-4-ylbenzamide
CID 46315517
4-(4-bromophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
CID 171989067
2-(4-chloro-2-fluorophenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504416

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide (CID 90323012) is 2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide is Cc1nc(N2CCC(=O)CC2)ncc1-c1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is XXHZGQSOYMLGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-10-14(11-2-3-15(18)13(8-11)16(19)24)9-20-17(21-10)22-6-4-12(23)5-7-22/h2-3,8-9H,4-7H2,1H3,(H2,19,24).
What are the key properties of 2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide?
2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 328.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 90323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).