4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide

C16H11FN4O — CID 169324519

IUPAC4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(-c2cnccn2)nc1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN4O/c17-12-3-1-11(2-4-12)16(22)21-13-5-6-14(20-9-13)15-10-18-7-8-19-15/h1-10H,(H,21,22)
InChIKeyRPQNPOWPSBNNMQ-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.93
Rot. Bonds3

About 4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide

4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide (PubChem CID 169324519) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide
PubChem CID169324519
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(-c2cnccn2)nc1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN4O/c17-12-3-1-11(2-4-12)16(22)21-13-5-6-14(20-9-13)15-10-18-7-8-19-15/h1-10H,(H,21,22)
InChIKeyRPQNPOWPSBNNMQ-UHFFFAOYSA-N
XLogP2.93
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide (CID 169324519) is 4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide is O=C(Nc1ccc(-c2cnccn2)nc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide?
The InChIKey is RPQNPOWPSBNNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O/c17-12-3-1-11(2-4-12)16(22)21-13-5-6-14(20-9-13)15-10-18-7-8-19-15/h1-10H,(H,21,22).
What are the key properties of 4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide?
4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide has a molecular weight of 294.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 169324519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).