3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide

C17H18FN5O — CID 122185587

IUPAC3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)c1nc(-c2ccc(F)cc2C#N)cnc1N
InChIInChI=1S/C17H18FN5O/c1-3-12(4-2)22-17(24)15-16(20)21-9-14(23-15)13-6-5-11(18)7-10(13)8-19/h5-7,9,12H,3-4H2,1-2H3,(H2,20,21)(H,22,24)
InChIKeyINEIXUPVOCQZQS-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.65
Rot. Bonds5

About 3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide

3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide (PubChem CID 122185587) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide
PubChem CID122185587
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)c1nc(-c2ccc(F)cc2C#N)cnc1N
InChIInChI=1S/C17H18FN5O/c1-3-12(4-2)22-17(24)15-16(20)21-9-14(23-15)13-6-5-11(18)7-10(13)8-19/h5-7,9,12H,3-4H2,1-2H3,(H2,20,21)(H,22,24)
InChIKeyINEIXUPVOCQZQS-UHFFFAOYSA-N
XLogP2.65
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide (CID 122185587) is 3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide is CCC(CC)NC(=O)c1nc(-c2ccc(F)cc2C#N)cnc1N.
What is the InChIKey of 3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide?
The InChIKey is INEIXUPVOCQZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-3-12(4-2)22-17(24)15-16(20)21-9-14(23-15)13-6-5-11(18)7-10(13)8-19/h5-7,9,12H,3-4H2,1-2H3,(H2,20,21)(H,22,24).
What are the key properties of 3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide?
3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-cyano-4-fluorophenyl)-N-pentan-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 122185587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).