2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide

C17H13FN4O2 — CID 58349081

IUPAC2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1
InChIInChI=1S/C17H13FN4O2/c1-11-2-3-16(18)15(4-11)17(23)22-12-5-13(7-19-6-12)24-14-8-20-10-21-9-14/h2-10H,1H3,(H,22,23)
InChIKeyWQILKYNYLWQPNA-UHFFFAOYSA-N
MW324.32 g/mol
LogP3.36
Rot. Bonds4

About 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide

2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide (PubChem CID 58349081) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
PubChem CID58349081
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1
InChIInChI=1S/C17H13FN4O2/c1-11-2-3-16(18)15(4-11)17(23)22-12-5-13(7-19-6-12)24-14-8-20-10-21-9-14/h2-10H,1H3,(H,22,23)
InChIKeyWQILKYNYLWQPNA-UHFFFAOYSA-N
XLogP3.36
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide (CID 58349081) is 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide is Cc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The InChIKey is WQILKYNYLWQPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-11-2-3-16(18)15(4-11)17(23)22-12-5-13(7-19-6-12)24-14-8-20-10-21-9-14/h2-10H,1H3,(H,22,23).
What are the key properties of 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide has a molecular weight of 324.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide is sourced from PubChem (CID 58349081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).