(2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C17H18F2N4O — CID 124970789

IUPAC(2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(c2cnccn2)CCCN1Cc1cccc(F)c1F
InChIInChI=1S/C17H18F2N4O/c1-20-16(24)17(14-10-21-7-8-22-14)6-3-9-23(17)11-12-4-2-5-13(18)15(12)19/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyJSLZKBGPHJEPSA-QGZVFWFLSA-N
MW332.35 g/mol
LogP1.99
Rot. Bonds4

About (2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide

(2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 124970789) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is (2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID124970789
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name(2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(c2cnccn2)CCCN1Cc1cccc(F)c1F
InChIInChI=1S/C17H18F2N4O/c1-20-16(24)17(14-10-21-7-8-22-14)6-3-9-23(17)11-12-4-2-5-13(18)15(12)19/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyJSLZKBGPHJEPSA-QGZVFWFLSA-N
XLogP1.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 124970789) is (2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide is CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1cccc(F)c1F.
What is the InChIKey of (2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is JSLZKBGPHJEPSA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-20-16(24)17(14-10-21-7-8-22-14)6-3-9-23(17)11-12-4-2-5-13(18)15(12)19/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,20,24)/t17-/m1/s1.
What are the key properties of (2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124970789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).