N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide

C20H21FN6O2 — CID 155733895

IUPACN-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(F)(CC)c3ccnc(C)n3)nc2)n1
InChIInChI=1S/C20H21FN6O2/c1-4-20(21,16-8-9-23-13(3)25-16)19(28)27-17-7-6-14(10-24-17)15-11-22-12-18(26-15)29-5-2/h6-12H,4-5H2,1-3H3,(H,24,27,28)
InChIKeyXXXHGGVNKJZJMX-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.25
Rot. Bonds7

About N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide

N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide (PubChem CID 155733895) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide
PubChem CID155733895
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC NameN-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(F)(CC)c3ccnc(C)n3)nc2)n1
InChIInChI=1S/C20H21FN6O2/c1-4-20(21,16-8-9-23-13(3)25-16)19(28)27-17-7-6-14(10-24-17)15-11-22-12-18(26-15)29-5-2/h6-12H,4-5H2,1-3H3,(H,24,27,28)
InChIKeyXXXHGGVNKJZJMX-UHFFFAOYSA-N
XLogP3.25
TPSA102.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide?
The IUPAC name of N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide (CID 155733895) is N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide.
What is the SMILES notation for N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide?
The canonical SMILES for N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide is CCOc1cncc(-c2ccc(NC(=O)C(F)(CC)c3ccnc(C)n3)nc2)n1.
What is the InChIKey of N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide?
The InChIKey is XXXHGGVNKJZJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-4-20(21,16-8-9-23-13(3)25-16)19(28)27-17-7-6-14(10-24-17)15-11-22-12-18(26-15)29-5-2/h6-12H,4-5H2,1-3H3,(H,24,27,28).
What are the key properties of N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide?
N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide has a molecular weight of 396.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-(2-methylpyrimidin-4-yl)butanamide is sourced from PubChem (CID 155733895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).