3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide

C17H11F4N5O — CID 122516055

IUPAC3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nccnc1Nc1ccc(F)cc1
InChIInChI=1S/C17H11F4N5O/c18-10-1-3-11(4-2-10)25-15-14(22-7-8-23-15)16(27)26-12-5-6-13(24-9-12)17(19,20)21/h1-9H,(H,23,25)(H,26,27)
InChIKeyPHMKJRAGYVKCEF-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.03
Rot. Bonds4

About 3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide

3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 122516055) has the molecular formula C17H11F4N5O and a molecular weight of 377.30 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID122516055
Molecular FormulaC17H11F4N5O
Molecular Weight377.30 g/mol
Exact Mass377.09
IUPAC Name3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nccnc1Nc1ccc(F)cc1
InChIInChI=1S/C17H11F4N5O/c18-10-1-3-11(4-2-10)25-15-14(22-7-8-23-15)16(27)26-12-5-6-13(24-9-12)17(19,20)21/h1-9H,(H,23,25)(H,26,27)
InChIKeyPHMKJRAGYVKCEF-UHFFFAOYSA-N
XLogP4.03
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (CID 122516055) is 3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1nccnc1Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is PHMKJRAGYVKCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N5O/c18-10-1-3-11(4-2-10)25-15-14(22-7-8-23-15)16(27)26-12-5-6-13(24-9-12)17(19,20)21/h1-9H,(H,23,25)(H,26,27).
What are the key properties of 3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 377.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 122516055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).