N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

C24H19FN4O — CID 46926660

IUPACN-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3cnc(-c4cccc(F)c4)nc3)cc2)ccn1
InChIInChI=1S/C24H19FN4O/c1-16-11-19(9-10-26-16)18-7-5-17(6-8-18)12-23(30)29-22-14-27-24(28-15-22)20-3-2-4-21(25)13-20/h2-11,13-15H,12H2,1H3,(H,29,30)
InChIKeyGBNAYJOKPABFSN-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.83
Rot. Bonds5

About N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 46926660) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID46926660
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC NameN-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3cnc(-c4cccc(F)c4)nc3)cc2)ccn1
InChIInChI=1S/C24H19FN4O/c1-16-11-19(9-10-26-16)18-7-5-17(6-8-18)12-23(30)29-22-14-27-24(28-15-22)20-3-2-4-21(25)13-20/h2-11,13-15H,12H2,1H3,(H,29,30)
InChIKeyGBNAYJOKPABFSN-UHFFFAOYSA-N
XLogP4.83
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 46926660) is N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3cnc(-c4cccc(F)c4)nc3)cc2)ccn1.
What is the InChIKey of N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is GBNAYJOKPABFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-16-11-19(9-10-26-16)18-7-5-17(6-8-18)12-23(30)29-22-14-27-24(28-15-22)20-3-2-4-21(25)13-20/h2-11,13-15H,12H2,1H3,(H,29,30).
What are the key properties of N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 398.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)pyrimidin-5-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 46926660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).