4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide

C20H18F2N4O — CID 134503941

IUPAC4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide
SMILESCCc1cc(F)cc(CNC(=O)c2ccc(-c3nccnc3N)cc2F)c1
InChIInChI=1S/C20H18F2N4O/c1-2-12-7-13(9-15(21)8-12)11-26-20(27)16-4-3-14(10-17(16)22)18-19(23)25-6-5-24-18/h3-10H,2,11H2,1H3,(H2,23,25)(H,26,27)
InChIKeySQLBUFCAGBOROU-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.50
Rot. Bonds5

About 4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide

4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide (PubChem CID 134503941) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide
PubChem CID134503941
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide
SMILESCCc1cc(F)cc(CNC(=O)c2ccc(-c3nccnc3N)cc2F)c1
InChIInChI=1S/C20H18F2N4O/c1-2-12-7-13(9-15(21)8-12)11-26-20(27)16-4-3-14(10-17(16)22)18-19(23)25-6-5-24-18/h3-10H,2,11H2,1H3,(H2,23,25)(H,26,27)
InChIKeySQLBUFCAGBOROU-UHFFFAOYSA-N
XLogP3.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclopentane;ethane;methanol
CID 144840547
4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide
CID 134503879
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine
CID 144840568
4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 134503855
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;ethane;methanamine;methoxycyclohexane
CID 144840521
4-(3-aminopyrazin-2-yl)-N-[(3-bromo-5-fluorophenyl)methyl]-2-fluorobenzamide;2,2-difluorocyclohexan-1-ol;N-methylmethanamine
CID 144840385
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;1,1-difluoro-2-methylcyclohexane;ethane;methanol
CID 144840498
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 141444513
4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
CID 118046170
4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide
CID 11451124
cyclohexanol;ethane;methyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
CID 144840536
N-[(3-aminophenyl)methyl]-2,4-difluorobenzamide
CID 62499463

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide (CID 134503941) is 4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide is CCc1cc(F)cc(CNC(=O)c2ccc(-c3nccnc3N)cc2F)c1.
What is the InChIKey of 4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide?
The InChIKey is SQLBUFCAGBOROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-2-12-7-13(9-15(21)8-12)11-26-20(27)16-4-3-14(10-17(16)22)18-19(23)25-6-5-24-18/h3-10H,2,11H2,1H3,(H2,23,25)(H,26,27).
What are the key properties of 4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide?
4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide has a molecular weight of 368.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 134503941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).