N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide

C8H10F2N4O2 — CID 114383349

IUPACN-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESNCC(F)(F)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H10F2N4O2/c9-8(10,3-11)4-14-7(16)5-1-13-6(15)2-12-5/h1-2H,3-4,11H2,(H,13,15)(H,14,16)
InChIKeyLCXRMHPQOXYRIZ-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.91
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 114383349) has the molecular formula C8H10F2N4O2 and a molecular weight of 232.19 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID114383349
Molecular FormulaC8H10F2N4O2
Molecular Weight232.19 g/mol
Exact Mass232.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESNCC(F)(F)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H10F2N4O2/c9-8(10,3-11)4-14-7(16)5-1-13-6(15)2-12-5/h1-2H,3-4,11H2,(H,13,15)(H,14,16)
InChIKeyLCXRMHPQOXYRIZ-UHFFFAOYSA-N
XLogP-0.91
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104857122
6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
CID 112527697
6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide
CID 112527762
Piperazin-1-yl-[3-(trifluoromethyl)-1,2-dihydropyrazin-5-yl]methanone
CID 144386448
N-(2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 90081940
6-oxo-N-propyl-1H-pyrazine-3-carboxamide
CID 108474666
N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 118264842
N-butyl-6-oxo-1H-pyrazine-2-carboxamide
CID 172999720
N-butan-2-yl-6-oxo-1H-pyrazine-2-carboxamide
CID 172999904
6-oxo-N-propyl-1H-pyrazine-2-carboxamide
CID 173000031
5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one
CID 28788637
6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide
CID 43443306

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 114383349) is N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide is NCC(F)(F)CNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is LCXRMHPQOXYRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O2/c9-8(10,3-11)4-14-7(16)5-1-13-6(15)2-12-5/h1-2H,3-4,11H2,(H,13,15)(H,14,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 232.19 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 114383349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).