3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

C28H24N6O — CID 154604363

IUPAC3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1
InChIInChI=1S/C28H24N6O/c1-28(2,22-12-6-7-15-31-22)34-27(35)25-26(29)33-23(18-9-4-3-5-10-18)24(32-25)20-13-14-21-19(17-20)11-8-16-30-21/h3-17H,1-2H3,(H2,29,33)(H,34,35)
InChIKeyHSWJODHDYVUQOD-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.00
Rot. Bonds5

About 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604363) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154604363
Molecular FormulaC28H24N6O
Molecular Weight460.54 g/mol
Exact Mass460.20
IUPAC Name3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1
InChIInChI=1S/C28H24N6O/c1-28(2,22-12-6-7-15-31-22)34-27(35)25-26(29)33-23(18-9-4-3-5-10-18)24(32-25)20-13-14-21-19(17-20)11-8-16-30-21/h3-17H,1-2H3,(H2,29,33)(H,34,35)
InChIKeyHSWJODHDYVUQOD-UHFFFAOYSA-N
XLogP5.00
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604363) is 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is CC(C)(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1.
What is the InChIKey of 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is HSWJODHDYVUQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O/c1-28(2,22-12-6-7-15-31-22)34-27(35)25-26(29)33-23(18-9-4-3-5-10-18)24(32-25)20-13-14-21-19(17-20)11-8-16-30-21/h3-17H,1-2H3,(H2,29,33)(H,34,35).
What are the key properties of 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).