2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

C15H14F2N4O — CID 53164645

IUPAC2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1c(F)cccc1F
InChIInChI=1S/C15H14F2N4O/c16-11-4-3-5-12(17)13(11)14(22)20-10-8-18-15(19-9-10)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7H2,(H,20,22)
InChIKeyHKPBXQHKKICZKY-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.61
Rot. Bonds3

About 2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53164645) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53164645
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1c(F)cccc1F
InChIInChI=1S/C15H14F2N4O/c16-11-4-3-5-12(17)13(11)14(22)20-10-8-18-15(19-9-10)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7H2,(H,20,22)
InChIKeyHKPBXQHKKICZKY-UHFFFAOYSA-N
XLogP2.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.61
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-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633
N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249520
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807245
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298205
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-carboxamide
CID 71789966
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 71789825

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (CID 53164645) is 2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is O=C(Nc1cnc(N2CCCC2)nc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is HKPBXQHKKICZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c16-11-4-3-5-12(17)13(11)14(22)20-10-8-18-15(19-9-10)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7H2,(H,20,22).
What are the key properties of 2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 304.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53164645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).