N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide

C9H11F2N3O3 — CID 107483149

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(c1c[nH]c(=O)cn1)N(CCO)CC(F)F
InChIInChI=1S/C9H11F2N3O3/c10-7(11)5-14(1-2-15)9(17)6-3-13-8(16)4-12-6/h3-4,7,15H,1-2,5H2,(H,13,16)
InChIKeyDPLLPSBEMCTRIW-UHFFFAOYSA-N
MW247.20 g/mol
LogP-0.53
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 107483149) has the molecular formula C9H11F2N3O3 and a molecular weight of 247.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID107483149
Molecular FormulaC9H11F2N3O3
Molecular Weight247.20 g/mol
Exact Mass247.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(c1c[nH]c(=O)cn1)N(CCO)CC(F)F
InChIInChI=1S/C9H11F2N3O3/c10-7(11)5-14(1-2-15)9(17)6-3-13-8(16)4-12-6/h3-4,7,15H,1-2,5H2,(H,13,16)
InChIKeyDPLLPSBEMCTRIW-UHFFFAOYSA-N
XLogP-0.53
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 107483149) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide is O=C(c1c[nH]c(=O)cn1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is DPLLPSBEMCTRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O3/c10-7(11)5-14(1-2-15)9(17)6-3-13-8(16)4-12-6/h3-4,7,15H,1-2,5H2,(H,13,16).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 247.20 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 107483149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).