4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide

C16H11FN4O — CID 3439528

IUPAC4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1ccnc(-c2ccncc2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN4O/c17-13-3-1-12(2-4-13)16(22)21-14-7-10-19-15(20-14)11-5-8-18-9-6-11/h1-10H,(H,19,20,21,22)
InChIKeyIGEGGPGMGOCFHZ-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.93
Rot. Bonds3

About 4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide

4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide (PubChem CID 3439528) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
PubChem CID3439528
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1ccnc(-c2ccncc2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN4O/c17-13-3-1-12(2-4-13)16(22)21-14-7-10-19-15(20-14)11-5-8-18-9-6-11/h1-10H,(H,19,20,21,22)
InChIKeyIGEGGPGMGOCFHZ-UHFFFAOYSA-N
XLogP2.93
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide (CID 3439528) is 4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide is O=C(Nc1ccnc(-c2ccncc2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide?
The InChIKey is IGEGGPGMGOCFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O/c17-13-3-1-12(2-4-13)16(22)21-14-7-10-19-15(20-14)11-5-8-18-9-6-11/h1-10H,(H,19,20,21,22).
What are the key properties of 4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide?
4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide has a molecular weight of 294.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 3439528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).