3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide

C27H22N6O — CID 154604340

IUPAC3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1
InChIInChI=1S/C27H22N6O/c1-17(21-11-5-6-14-29-21)31-27(34)25-26(28)33-23(18-8-3-2-4-9-18)24(32-25)20-12-13-22-19(16-20)10-7-15-30-22/h2-17H,1H3,(H2,28,33)(H,31,34)
InChIKeyGFKRWSMORVLFFP-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.83
Rot. Bonds5

About 3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604340) has the molecular formula C27H22N6O and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154604340
Molecular FormulaC27H22N6O
Molecular Weight446.51 g/mol
Exact Mass446.19
IUPAC Name3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1
InChIInChI=1S/C27H22N6O/c1-17(21-11-5-6-14-29-21)31-27(34)25-26(28)33-23(18-8-3-2-4-9-18)24(32-25)20-12-13-22-19(16-20)10-7-15-30-22/h2-17H,1H3,(H2,28,33)(H,31,34)
InChIKeyGFKRWSMORVLFFP-UHFFFAOYSA-N
XLogP4.83
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.83
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-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604340) is 3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide is CC(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1.
What is the InChIKey of 3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is GFKRWSMORVLFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O/c1-17(21-11-5-6-14-29-21)31-27(34)25-26(28)33-23(18-8-3-2-4-9-18)24(32-25)20-12-13-22-19(16-20)10-7-15-30-22/h2-17H,1H3,(H2,28,33)(H,31,34).
What are the key properties of 3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-5-phenyl-N-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.83, 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-(1-pyridin-2-ylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).