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

C27H19N7O — CID 154604675

IUPAC3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C27H19N7O/c28-15-20-9-4-10-21(32-20)16-31-27(35)25-26(29)34-23(17-6-2-1-3-7-17)24(33-25)19-11-12-22-18(14-19)8-5-13-30-22/h1-14H,16H2,(H2,29,34)(H,31,35)
InChIKeyXZHXQBWLDQRXKT-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.14
Rot. Bonds5

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

3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604675) has the molecular formula C27H19N7O and a molecular weight of 457.50 g/mol. Its IUPAC name is 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154604675
Molecular FormulaC27H19N7O
Molecular Weight457.50 g/mol
Exact Mass457.17
IUPAC Name3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C27H19N7O/c28-15-20-9-4-10-21(32-20)16-31-27(35)25-26(29)34-23(17-6-2-1-3-7-17)24(33-25)19-11-12-22-18(14-19)8-5-13-30-22/h1-14H,16H2,(H2,29,34)(H,31,35)
InChIKeyXZHXQBWLDQRXKT-UHFFFAOYSA-N
XLogP4.14
TPSA130.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604675) is 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is N#Cc1cccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)n1.
What is the InChIKey of 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is XZHXQBWLDQRXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N7O/c28-15-20-9-4-10-21(32-20)16-31-27(35)25-26(29)34-23(17-6-2-1-3-7-17)24(33-25)19-11-12-22-18(14-19)8-5-13-30-22/h1-14H,16H2,(H2,29,34)(H,31,35).
What are the key properties of 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-cyano-2-pyridinyl)methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).