3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

C26H19FN6O — CID 154604420

IUPAC3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1cccc(F)n1
InChIInChI=1S/C26H19FN6O/c27-21-10-4-9-19(31-21)15-30-26(34)24-25(28)33-22(16-6-2-1-3-7-16)23(32-24)18-11-12-20-17(14-18)8-5-13-29-20/h1-14H,15H2,(H2,28,33)(H,30,34)
InChIKeyXGXXIZIVCYLSSN-UHFFFAOYSA-N
MW450.48 g/mol
LogP4.41
Rot. Bonds5

About 3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604420) has the molecular formula C26H19FN6O and a molecular weight of 450.48 g/mol. Its IUPAC name is 3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154604420
Molecular FormulaC26H19FN6O
Molecular Weight450.48 g/mol
Exact Mass450.16
IUPAC Name3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1cccc(F)n1
InChIInChI=1S/C26H19FN6O/c27-21-10-4-9-19(31-21)15-30-26(34)24-25(28)33-22(16-6-2-1-3-7-16)23(32-24)18-11-12-20-17(14-18)8-5-13-29-20/h1-14H,15H2,(H2,28,33)(H,30,34)
InChIKeyXGXXIZIVCYLSSN-UHFFFAOYSA-N
XLogP4.41
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604420) is 3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1cccc(F)n1.
What is the InChIKey of 3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is XGXXIZIVCYLSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O/c27-21-10-4-9-19(31-21)15-30-26(34)24-25(28)33-22(16-6-2-1-3-7-16)23(32-24)18-11-12-20-17(14-18)8-5-13-29-20/h1-14H,15H2,(H2,28,33)(H,30,34).
What are the key properties of 3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).