3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide

C12H11FN4O — CID 62661875

IUPAC3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide
SMILESCNc1c(F)cccc1C(=O)Nc1cnccn1
InChIInChI=1S/C12H11FN4O/c1-14-11-8(3-2-4-9(11)13)12(18)17-10-7-15-5-6-16-10/h2-7,14H,1H3,(H,16,17,18)
InChIKeyFTQCQAOBOAUCEE-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.91
Rot. Bonds3

About 3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide

3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide (PubChem CID 62661875) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide
PubChem CID62661875
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide
SMILESCNc1c(F)cccc1C(=O)Nc1cnccn1
InChIInChI=1S/C12H11FN4O/c1-14-11-8(3-2-4-9(11)13)12(18)17-10-7-15-5-6-16-10/h2-7,14H,1H3,(H,16,17,18)
InChIKeyFTQCQAOBOAUCEE-UHFFFAOYSA-N
XLogP1.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide
CID 86794505
3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62649569
2-amino-3-methyl-N-pyrazin-2-ylbenzamide
CID 43616017
3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
CID 62648773
2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356
3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide
CID 114914408
2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide
CID 104853695
N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 62650098
3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62808855
N-(2-chlorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 55099714
N-(2-fluoro-6-methylphenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105071404
3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 62661709

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide (CID 62661875) is 3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide is CNc1c(F)cccc1C(=O)Nc1cnccn1.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide?
The InChIKey is FTQCQAOBOAUCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-14-11-8(3-2-4-9(11)13)12(18)17-10-7-15-5-6-16-10/h2-7,14H,1H3,(H,16,17,18).
What are the key properties of 3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide?
3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide has a molecular weight of 246.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 62661875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).