3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

C26H20N6O2 — CID 164607276

IUPAC3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NC(O)c1ccccn1
InChIInChI=1S/C26H20N6O2/c27-24-23(26(34)32-25(33)20-10-4-5-13-29-20)30-22(21(31-24)16-7-2-1-3-8-16)18-11-12-19-17(15-18)9-6-14-28-19/h1-15,25,33H,(H2,27,31)(H,32,34)
InChIKeyHVYLGCUCGRNFQY-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.76
Rot. Bonds5

About 3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 164607276) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID164607276
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC Name3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NC(O)c1ccccn1
InChIInChI=1S/C26H20N6O2/c27-24-23(26(34)32-25(33)20-10-4-5-13-29-20)30-22(21(31-24)16-7-2-1-3-8-16)18-11-12-19-17(15-18)9-6-14-28-19/h1-15,25,33H,(H2,27,31)(H,32,34)
InChIKeyHVYLGCUCGRNFQY-UHFFFAOYSA-N
XLogP3.76
TPSA126.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 164607276) is 3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NC(O)c1ccccn1.
What is the InChIKey of 3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is HVYLGCUCGRNFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c27-24-23(26(34)32-25(33)20-10-4-5-13-29-20)30-22(21(31-24)16-7-2-1-3-8-16)18-11-12-19-17(15-18)9-6-14-28-19/h1-15,25,33H,(H2,27,31)(H,32,34).
What are the key properties of 3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[hydroxy(pyridin-2-yl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 164607276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).