N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide

C12H15F3N4O — CID 164629795

IUPACN-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@H]1CCCN1CC(F)(F)F)c1cnccn1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-19-5-1-2-9(19)6-18-11(20)10-7-16-3-4-17-10/h3-4,7,9H,1-2,5-6,8H2,(H,18,20)/t9-/m1/s1
InChIKeyQGVHOTIYHPDPNM-SECBINFHSA-N
MW288.27 g/mol
LogP1.23
Rot. Bonds4

About N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide

N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 164629795) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID164629795
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC NameN-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@H]1CCCN1CC(F)(F)F)c1cnccn1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-19-5-1-2-9(19)6-18-11(20)10-7-16-3-4-17-10/h3-4,7,9H,1-2,5-6,8H2,(H,18,20)/t9-/m1/s1
InChIKeyQGVHOTIYHPDPNM-SECBINFHSA-N
XLogP1.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide (CID 164629795) is N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide is O=C(NC[C@H]1CCCN1CC(F)(F)F)c1cnccn1.
What is the InChIKey of N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is QGVHOTIYHPDPNM-SECBINFHSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)8-19-5-1-2-9(19)6-18-11(20)10-7-16-3-4-17-10/h3-4,7,9H,1-2,5-6,8H2,(H,18,20)/t9-/m1/s1.
What are the key properties of N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 164629795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).