N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide

C8H9F2N3O3 — CID 104857122

IUPACN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H9F2N3O3/c9-8(10,4-14)3-13-7(16)5-1-12-6(15)2-11-5/h1-2,14H,3-4H2,(H,12,15)(H,13,16)
InChIKeyQQUHUONNPNRMKB-UHFFFAOYSA-N
MW233.17 g/mol
LogP-0.87
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 104857122) has the molecular formula C8H9F2N3O3 and a molecular weight of 233.17 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID104857122
Molecular FormulaC8H9F2N3O3
Molecular Weight233.17 g/mol
Exact Mass233.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H9F2N3O3/c9-8(10,4-14)3-13-7(16)5-1-12-6(15)2-11-5/h1-2,14H,3-4H2,(H,12,15)(H,13,16)
InChIKeyQQUHUONNPNRMKB-UHFFFAOYSA-N
XLogP-0.87
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 103770025
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 107483149
6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide
CID 112527762
6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide
CID 113249099
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
CID 113351102
N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 114383349
N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500339
N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500413
N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43501009
N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43501040
N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide
CID 54916099
N-(2-hydroxyethyl)-6-oxo-N-propyl-1H-pyrazine-3-carboxamide
CID 61066865

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 104857122) is N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide is O=C(NCC(F)(F)CO)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is QQUHUONNPNRMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3/c9-8(10,4-14)3-13-7(16)5-1-12-6(15)2-11-5/h1-2,14H,3-4H2,(H,12,15)(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 233.17 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 104857122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).