3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

C16H17FN4O — CID 53014760

IUPAC3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1cccc(F)c1
InChIInChI=1S/C16H17FN4O/c17-13-6-4-5-12(9-13)15(22)20-14-10-18-16(19-11-14)21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8H2,(H,20,22)
InChIKeyNTOHVQUDHAZYJM-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.86
Rot. Bonds3

About 3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53014760) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53014760
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1cccc(F)c1
InChIInChI=1S/C16H17FN4O/c17-13-6-4-5-12(9-13)15(22)20-14-10-18-16(19-11-14)21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8H2,(H,20,22)
InChIKeyNTOHVQUDHAZYJM-UHFFFAOYSA-N
XLogP2.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
3-nitro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298793
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122298256
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122298661
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide
CID 71807242
N-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 46382606
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (CID 53014760) is 3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is O=C(Nc1cnc(N2CCCCC2)nc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is NTOHVQUDHAZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-6-4-5-12(9-13)15(22)20-14-10-18-16(19-11-14)21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8H2,(H,20,22).
What are the key properties of 3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 300.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53014760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).