3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile

C56H40Cl2F2N14O3 — CID 157459534

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile
SMILESCC(N)c1cccc(C#N)n1.CC(NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1cccc(C#N)n1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C28H19ClFN7O.C20H12ClFN4O2.C8H9N3/c1-15(22-6-2-5-20(14-31)35-22)34-28(38)26-27(32)37-24(16-7-9-19(30)10-8-16)25(36-26)18-12-17-4-3-11-33-23(17)21(29)13-18;21-14-9-12(8-11-2-1-7-24-15(11)14)17-16(10-3-5-13(22)6-4-10)26-19(23)18(25-17)20(27)28;1-6(10)8-4-2-3-7(5-9)11-8/h2-13,15H,1H3,(H2,32,37)(H,34,38);1-9H,(H2,23,26)(H,27,28);2-4,6H,10H2,1H3
InChIKeyBTTKLAPUZGYTQH-UHFFFAOYSA-N
MW1065.93 g/mol
LogP10.90
Rot. Bonds9

About 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile

3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile (PubChem CID 157459534) has the molecular formula C56H40Cl2F2N14O3 and a molecular weight of 1065.93 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile
PubChem CID157459534
Molecular FormulaC56H40Cl2F2N14O3
Molecular Weight1065.93 g/mol
Exact Mass1064.28
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile
SMILESCC(N)c1cccc(C#N)n1.CC(NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1cccc(C#N)n1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C28H19ClFN7O.C20H12ClFN4O2.C8H9N3/c1-15(22-6-2-5-20(14-31)35-22)34-28(38)26-27(32)37-24(16-7-9-19(30)10-8-16)25(36-26)18-12-17-4-3-11-33-23(17)21(29)13-18;21-14-9-12(8-11-2-1-7-24-15(11)14)17-16(10-3-5-13(22)6-4-10)26-19(23)18(25-17)20(27)28;1-6(10)8-4-2-3-7(5-9)11-8/h2-13,15H,1H3,(H2,32,37)(H,34,38);1-9H,(H2,23,26)(H,27,28);2-4,6H,10H2,1H3
InChIKeyBTTKLAPUZGYTQH-UHFFFAOYSA-N
XLogP10.90
TPSA295.16 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.93
LogP ≤ 510.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile with MolForge

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Related Compounds

3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 154604462
3-amino-6-(8-chloroquinolin-6-yl)-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 154604322
3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 154604400
3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 154604465
3-amino-6-(8-chloroquinolin-6-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 154604570
3-amino-6-(8-chloroquinolin-6-yl)-N-[(6-cyano-2-pyridinyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 154604418
3-Amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid
CID 154604522
3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 154604575
3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 154996391
3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid
CID 137431027
3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 154604641
3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 154604745

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile (CID 157459534) is 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile is CC(N)c1cccc(C#N)n1.CC(NC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1cccc(C#N)n1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile?
The InChIKey is BTTKLAPUZGYTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClFN7O.C20H12ClFN4O2.C8H9N3/c1-15(22-6-2-5-20(14-31)35-22)34-28(38)26-27(32)37-24(16-7-9-19(30)10-8-16)25(36-26)18-12-17-4-3-11-33-23(17)21(29)13-18;21-14-9-12(8-11-2-1-7-24-15(11)14)17-16(10-3-5-13(22)6-4-10)26-19(23)18(25-17)20(27)28;1-6(10)8-4-2-3-7(5-9)11-8/h2-13,15H,1H3,(H2,32,37)(H,34,38);1-9H,(H2,23,26)(H,27,28);2-4,6H,10H2,1H3.
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile?
3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile has a molecular weight of 1065.93 g/mol, XLogP of 10.90, 9 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-[1-(6-cyano-2-pyridinyl)ethyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(1-aminoethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 157459534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).