N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide

C13H13FN4O2 — CID 135204550

IUPACN-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide
SMILESCOc1nc(N)cnc1CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2/c1-20-13-10(16-7-11(15)18-13)6-17-12(19)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H2,15,18)(H,17,19)
InChIKeyKMVRIMZHQHWRQX-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.14
Rot. Bonds4

About N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide

N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide (PubChem CID 135204550) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide
PubChem CID135204550
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC NameN-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide
SMILESCOc1nc(N)cnc1CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2/c1-20-13-10(16-7-11(15)18-13)6-17-12(19)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H2,15,18)(H,17,19)
InChIKeyKMVRIMZHQHWRQX-UHFFFAOYSA-N
XLogP1.14
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 158377289
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110783290
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
CID 114255745
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide (CID 135204550) is N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide is COc1nc(N)cnc1CNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide?
The InChIKey is KMVRIMZHQHWRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-20-13-10(16-7-11(15)18-13)6-17-12(19)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide?
N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide has a molecular weight of 276.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-3-methoxypyrazin-2-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 135204550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).