5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide

C15H15FN6O2 — CID 167909237

IUPAC5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cn1
InChIInChI=1S/C15H15FN6O2/c16-10-3-2-9(6-12(10)22-5-1-4-18-15(22)24)21-14(23)11-7-20-13(17)8-19-11/h2-3,6-8H,1,4-5H2,(H2,17,20)(H,18,24)(H,21,23)
InChIKeyZIUYKBAUDWNWOR-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.37
Rot. Bonds3

About 5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide

5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 167909237) has the molecular formula C15H15FN6O2 and a molecular weight of 330.32 g/mol. Its IUPAC name is 5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide
PubChem CID167909237
Molecular FormulaC15H15FN6O2
Molecular Weight330.32 g/mol
Exact Mass330.12
IUPAC Name5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cn1
InChIInChI=1S/C15H15FN6O2/c16-10-3-2-9(6-12(10)22-5-1-4-18-15(22)24)21-14(23)11-7-20-13(17)8-19-11/h2-3,6-8H,1,4-5H2,(H2,17,20)(H,18,24)(H,21,23)
InChIKeyZIUYKBAUDWNWOR-UHFFFAOYSA-N
XLogP1.37
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 136542535
5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide
CID 107375402
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide
CID 110666649
1-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea
CID 167919817
5-amino-N-(4-bromophenyl)pyrazine-2-carboxamide
CID 113381818
1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 113296328
5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide
CID 107623030
N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286726
5-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxamide
CID 104639273
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109290679
N-(3,4-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51298991
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazine-2-carboxamide;dihydrochloride
CID 119547211

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide (CID 167909237) is 5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide is Nc1cnc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cn1.
What is the InChIKey of 5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is ZIUYKBAUDWNWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O2/c16-10-3-2-9(6-12(10)22-5-1-4-18-15(22)24)21-14(23)11-7-20-13(17)8-19-11/h2-3,6-8H,1,4-5H2,(H2,17,20)(H,18,24)(H,21,23).
What are the key properties of 5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide?
5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 330.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 167909237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).