(2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide

C9H10ClFN4O — CID 126643207

IUPAC(2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cncc(Cl)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C9H10ClFN4O/c10-7-3-12-4-8(14-7)15-9(16)6-1-5(11)2-13-6/h3-6,13H,1-2H2,(H,14,15,16)/t5-,6+/m1/s1
InChIKeyPHUPOXGQEZQNGU-RITPCOANSA-N
MW244.66 g/mol
LogP0.77
Rot. Bonds2

About (2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 126643207) has the molecular formula C9H10ClFN4O and a molecular weight of 244.66 g/mol. Its IUPAC name is (2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID126643207
Molecular FormulaC9H10ClFN4O
Molecular Weight244.66 g/mol
Exact Mass244.05
IUPAC Name(2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cncc(Cl)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C9H10ClFN4O/c10-7-3-12-4-8(14-7)15-9(16)6-1-5(11)2-13-6/h3-6,13H,1-2H2,(H,14,15,16)/t5-,6+/m1/s1
InChIKeyPHUPOXGQEZQNGU-RITPCOANSA-N
XLogP0.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide (CID 126643207) is (2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide is O=C(Nc1cncc(Cl)n1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is PHUPOXGQEZQNGU-RITPCOANSA-N. The full InChI is InChI=1S/C9H10ClFN4O/c10-7-3-12-4-8(14-7)15-9(16)6-1-5(11)2-13-6/h3-6,13H,1-2H2,(H,14,15,16)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 244.66 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 126643207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).