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

C15H11F3N6O — CID 171571731

IUPAC3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESCn1cncc1-c1nccnc1C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H11F3N6O/c1-24-8-19-7-10(24)12-13(21-5-4-20-12)14(25)23-9-2-3-11(22-6-9)15(16,17)18/h2-8H,1H3,(H,23,25)
InChIKeyNYNRLXHEOCVGKN-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.54
Rot. Bonds3

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

3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 171571731) has the molecular formula C15H11F3N6O and a molecular weight of 348.29 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID171571731
Molecular FormulaC15H11F3N6O
Molecular Weight348.29 g/mol
Exact Mass348.09
IUPAC Name3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESCn1cncc1-c1nccnc1C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H11F3N6O/c1-24-8-19-7-10(24)12-13(21-5-4-20-12)14(25)23-9-2-3-11(22-6-9)15(16,17)18/h2-8H,1H3,(H,23,25)
InChIKeyNYNRLXHEOCVGKN-UHFFFAOYSA-N
XLogP2.54
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 166481330
3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 122516055
2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 166481504
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 166212260
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 162597047
3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 122535135
(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 86715442
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (CID 171571731) is 3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is Cn1cncc1-c1nccnc1C(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is NYNRLXHEOCVGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O/c1-24-8-19-7-10(24)12-13(21-5-4-20-12)14(25)23-9-2-3-11(22-6-9)15(16,17)18/h2-8H,1H3,(H,23,25).
What are the key properties of 3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 348.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 171571731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).