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

C26H19FN6O — CID 154604549

IUPAC3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1ccc(F)cn1
InChIInChI=1S/C26H19FN6O/c27-19-9-10-20(30-14-19)15-31-26(34)24-25(28)33-22(16-5-2-1-3-6-16)23(32-24)18-8-11-21-17(13-18)7-4-12-29-21/h1-14H,15H2,(H2,28,33)(H,31,34)
InChIKeyYQMPXUCHAHGSMV-UHFFFAOYSA-N
MW450.48 g/mol
LogP4.41
Rot. Bonds5

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

3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604549) has the molecular formula C26H19FN6O and a molecular weight of 450.48 g/mol. Its IUPAC name is 3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154604549
Molecular FormulaC26H19FN6O
Molecular Weight450.48 g/mol
Exact Mass450.16
IUPAC Name3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1ccc(F)cn1
InChIInChI=1S/C26H19FN6O/c27-19-9-10-20(30-14-19)15-31-26(34)24-25(28)33-22(16-5-2-1-3-6-16)23(32-24)18-8-11-21-17(13-18)7-4-12-29-21/h1-14H,15H2,(H2,28,33)(H,31,34)
InChIKeyYQMPXUCHAHGSMV-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604549) is 3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1ccc(F)cn1.
What is the InChIKey of 3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is YQMPXUCHAHGSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O/c27-19-9-10-20(30-14-19)15-31-26(34)24-25(28)33-22(16-5-2-1-3-6-16)23(32-24)18-8-11-21-17(13-18)7-4-12-29-21/h1-14H,15H2,(H2,28,33)(H,31,34).
What are the key properties of 3-amino-N-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[(5-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-[(5-fluoro-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).