N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H15F3N4O — CID 63720273

IUPACN-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1cnc(CNC(=O)C2(C(F)(F)F)CCNC2)cn1
InChIInChI=1S/C12H15F3N4O/c1-8-4-18-9(5-17-8)6-19-10(20)11(12(13,14)15)2-3-16-7-11/h4-5,16H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyAWQAFHYIFSDELQ-UHFFFAOYSA-N
MW288.27 g/mol
LogP0.94
Rot. Bonds3

About N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63720273) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63720273
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1cnc(CNC(=O)C2(C(F)(F)F)CCNC2)cn1
InChIInChI=1S/C12H15F3N4O/c1-8-4-18-9(5-17-8)6-19-10(20)11(12(13,14)15)2-3-16-7-11/h4-5,16H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyAWQAFHYIFSDELQ-UHFFFAOYSA-N
XLogP0.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63720273) is N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1cnc(CNC(=O)C2(C(F)(F)F)CCNC2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is AWQAFHYIFSDELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-8-4-18-9(5-17-8)6-19-10(20)11(12(13,14)15)2-3-16-7-11/h4-5,16H,2-3,6-7H2,1H3,(H,19,20).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63720273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).