N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide

C19H17FN4O — CID 23000446

IUPACN-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C19H17FN4O/c1-2-3-17(25)23-19-22-12-16(13-4-6-15(20)7-5-13)18(24-19)14-8-10-21-11-9-14/h4-12H,2-3H2,1H3,(H,22,23,24,25)
InChIKeyXOXTVISHHQXSDZ-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.08
Rot. Bonds5

About N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide

N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide (PubChem CID 23000446) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide
PubChem CID23000446
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C19H17FN4O/c1-2-3-17(25)23-19-22-12-16(13-4-6-15(20)7-5-13)18(24-19)14-8-10-21-11-9-14/h4-12H,2-3H2,1H3,(H,22,23,24,25)
InChIKeyXOXTVISHHQXSDZ-UHFFFAOYSA-N
XLogP4.08
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide (CID 23000446) is N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide is CCCC(=O)Nc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide?
The InChIKey is XOXTVISHHQXSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-3-17(25)23-19-22-12-16(13-4-6-15(20)7-5-13)18(24-19)14-8-10-21-11-9-14/h4-12H,2-3H2,1H3,(H,22,23,24,25).
What are the key properties of N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide?
N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide has a molecular weight of 336.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide is sourced from PubChem (CID 23000446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).