4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide

C18H15FN4O — CID 134503879

IUPAC4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide
SMILESNc1nccnc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C18H15FN4O/c19-15-10-13(16-17(20)22-9-8-21-16)6-7-14(15)18(24)23-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,20,22)(H,23,24)
InChIKeyRXUOTEBUYWBMEP-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.79
Rot. Bonds4

About 4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide

4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide (PubChem CID 134503879) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide
PubChem CID134503879
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide
SMILESNc1nccnc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C18H15FN4O/c19-15-10-13(16-17(20)22-9-8-21-16)6-7-14(15)18(24)23-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,20,22)(H,23,24)
InChIKeyRXUOTEBUYWBMEP-UHFFFAOYSA-N
XLogP2.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 134503855
4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide
CID 134503941
4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
CID 118046170
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclopentane;ethane;methanol
CID 144840547
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 141444513
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine
CID 144840568
4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide
CID 144840517
4-[2-amino-5-(1,1-dioxothian-4-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
CID 118045524
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;ethane;methanamine;methoxycyclohexane
CID 144840521
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;1,1-difluoro-2-methylcyclohexane;ethane;methanol
CID 144840498
4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
CID 134216187
4-(3-aminopyrazin-2-yl)-N-[(3-bromo-5-fluorophenyl)methyl]-2-fluorobenzamide;2,2-difluorocyclohexan-1-ol;N-methylmethanamine
CID 144840385

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide?
The IUPAC name of 4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide (CID 134503879) is 4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide.
What is the SMILES notation for 4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide?
The canonical SMILES for 4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide is Nc1nccnc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1.
What is the InChIKey of 4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide?
The InChIKey is RXUOTEBUYWBMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-15-10-13(16-17(20)22-9-8-21-16)6-7-14(15)18(24)23-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,20,22)(H,23,24).
What are the key properties of 4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide?
4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide has a molecular weight of 322.34 g/mol, XLogP of 2.79, 4 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-benzyl-2-fluorobenzamide is sourced from PubChem (CID 134503879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).