6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C16H16F3N3O2 — CID 91653000

IUPAC6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCOc1cncc(C(=O)N(c2cccc(C(F)(F)F)c2)C(C)C)n1
InChIInChI=1S/C16H16F3N3O2/c1-10(2)22(12-6-4-5-11(7-12)16(17,18)19)15(23)13-8-20-9-14(21-13)24-3/h4-10H,1-3H3
InChIKeyTUAWWPYIWAGDSO-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.56
Rot. Bonds4

About 6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 91653000) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID91653000
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCOc1cncc(C(=O)N(c2cccc(C(F)(F)F)c2)C(C)C)n1
InChIInChI=1S/C16H16F3N3O2/c1-10(2)22(12-6-4-5-11(7-12)16(17,18)19)15(23)13-8-20-9-14(21-13)24-3/h4-10H,1-3H3
InChIKeyTUAWWPYIWAGDSO-UHFFFAOYSA-N
XLogP3.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 91653000) is 6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is COc1cncc(C(=O)N(c2cccc(C(F)(F)F)c2)C(C)C)n1.
What is the InChIKey of 6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is TUAWWPYIWAGDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10(2)22(12-6-4-5-11(7-12)16(17,18)19)15(23)13-8-20-9-14(21-13)24-3/h4-10H,1-3H3.
What are the key properties of 6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91653000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).