3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine

C62H54N14O3 — CID 158390386

IUPAC3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine
SMILESCC(C)(N)c1ccccn1.CC(C)(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1.N#Cc1ccccn1.Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C28H24N6O.C20H14N4O2.C8H12N2.C6H4N2/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;21-19-18(20(25)26)23-17(16(24-19)12-5-2-1-3-6-12)14-8-9-15-13(11-14)7-4-10-22-15;1-8(2,9)7-5-3-4-6-10-7;7-5-6-3-1-2-4-8-6/h3-17H,1-2H3,(H2,29,33)(H,34,35);1-11H,(H2,21,24)(H,25,26);3-6H,9H2,1-2H3;1-4H
InChIKeyGWWSSFOEFNBRDG-UHFFFAOYSA-N
MW1043.21 g/mol
LogP10.87
Rot. Bonds9

About 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine

3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine (PubChem CID 158390386) has the molecular formula C62H54N14O3 and a molecular weight of 1043.21 g/mol. Its IUPAC name is 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine
PubChem CID158390386
Molecular FormulaC62H54N14O3
Molecular Weight1043.21 g/mol
Exact Mass1042.45
IUPAC Name3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine
SMILESCC(C)(N)c1ccccn1.CC(C)(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1.N#Cc1ccccn1.Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C28H24N6O.C20H14N4O2.C8H12N2.C6H4N2/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;21-19-18(20(25)26)23-17(16(24-19)12-5-2-1-3-6-12)14-8-9-15-13(11-14)7-4-10-22-15;1-8(2,9)7-5-3-4-6-10-7;7-5-6-3-1-2-4-8-6/h3-17H,1-2H3,(H2,29,33)(H,34,35);1-11H,(H2,21,24)(H,25,26);3-6H,9H2,1-2H3;1-4H
InChIKeyGWWSSFOEFNBRDG-UHFFFAOYSA-N
XLogP10.87
TPSA284.26 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001043.21
LogP ≤ 510.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine with MolForge

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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;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine?
The IUPAC name of 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine (CID 158390386) is 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine is CC(C)(N)c1ccccn1.CC(C)(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1.N#Cc1ccccn1.Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)O.
What is the InChIKey of 3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine?
The InChIKey is GWWSSFOEFNBRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O.C20H14N4O2.C8H12N2.C6H4N2/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;21-19-18(20(25)26)23-17(16(24-19)12-5-2-1-3-6-12)14-8-9-15-13(11-14)7-4-10-22-15;1-8(2,9)7-5-3-4-6-10-7;7-5-6-3-1-2-4-8-6/h3-17H,1-2H3,(H2,29,33)(H,34,35);1-11H,(H2,21,24)(H,25,26);3-6H,9H2,1-2H3;1-4H.
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-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine?
3-amino-5-phenyl-N-(2-pyridin-2-ylpropan-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine has a molecular weight of 1043.21 g/mol, XLogP of 10.87, 9 rotatable bonds, 5 hydrogen bond donors, and 15 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;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;pyridine-2-carbonitrile;2-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 158390386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).