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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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).