N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide

C19H17FN4O2 — CID 59509031

IUPACN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)Cc2cnccc2C)ncn1
InChIInChI=1S/C19H17FN4O2/c1-12-5-6-21-10-13(12)7-19(25)24-18-9-16(22-11-23-18)15-8-14(20)3-4-17(15)26-2/h3-6,8-11H,7H2,1-2H3,(H,22,23,24,25)
InChIKeyOYVYAYJOXITGOJ-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.18
Rot. Bonds5

About N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide (PubChem CID 59509031) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide
PubChem CID59509031
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)Cc2cnccc2C)ncn1
InChIInChI=1S/C19H17FN4O2/c1-12-5-6-21-10-13(12)7-19(25)24-18-9-16(22-11-23-18)15-8-14(20)3-4-17(15)26-2/h3-6,8-11H,7H2,1-2H3,(H,22,23,24,25)
InChIKeyOYVYAYJOXITGOJ-UHFFFAOYSA-N
XLogP3.18
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide (CID 59509031) is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide is COc1ccc(F)cc1-c1cc(NC(=O)Cc2cnccc2C)ncn1.
What is the InChIKey of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is OYVYAYJOXITGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-5-6-21-10-13(12)7-19(25)24-18-9-16(22-11-23-18)15-8-14(20)3-4-17(15)26-2/h3-6,8-11H,7H2,1-2H3,(H,22,23,24,25).
What are the key properties of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide?
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 352.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 59509031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).