3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide

C25H24N6O — CID 154656204

IUPAC3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NC1CCCNC1
InChIInChI=1S/C25H24N6O/c26-24-23(25(32)29-19-9-5-12-27-15-19)30-22(21(31-24)16-6-2-1-3-7-16)18-10-11-20-17(14-18)8-4-13-28-20/h1-4,6-8,10-11,13-14,19,27H,5,9,12,15H2,(H2,26,31)(H,29,32)
InChIKeyWNBYCRYSNNQJGU-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.42
Rot. Bonds4

About 3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154656204) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154656204
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NC1CCCNC1
InChIInChI=1S/C25H24N6O/c26-24-23(25(32)29-19-9-5-12-27-15-19)30-22(21(31-24)16-6-2-1-3-7-16)18-10-11-20-17(14-18)8-4-13-28-20/h1-4,6-8,10-11,13-14,19,27H,5,9,12,15H2,(H2,26,31)(H,29,32)
InChIKeyWNBYCRYSNNQJGU-UHFFFAOYSA-N
XLogP3.42
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154656204) is 3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NC1CCCNC1.
What is the InChIKey of 3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is WNBYCRYSNNQJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c26-24-23(25(32)29-19-9-5-12-27-15-19)30-22(21(31-24)16-6-2-1-3-7-16)18-10-11-20-17(14-18)8-4-13-28-20/h1-4,6-8,10-11,13-14,19,27H,5,9,12,15H2,(H2,26,31)(H,29,32).
What are the key properties of 3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154656204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).