3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide

C28H21N7O — CID 164607280

About 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 164607280) has the molecular formula C28H21N7O and a molecular weight of 471.52 g/mol. Its IUPAC name is 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 164607280
• Molecular Formula: C28H21N7O
• Molecular Weight: 471.52 g/mol
• Exact Mass: 471.18
• IUPAC Name: 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: C[C@H](NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2cccc(C#N)c2)nc1N)c1ccccn1
• InChI: InChI=1S/C28H21N7O/c1-17(22-9-2-3-12-31-22)33-28(36)26-27(30)35-25(20-7-4-6-18(14-20)16-29)24(34-26)21-10-11-23-19(15-21)8-5-13-32-23/h2-15,17H,1H3,(H2,30,35)(H,33,36)/t17-/m0/s1
• InChIKey: GRZZJIYEQZMIKA-KRWDZBQOSA-N
• XLogP: 4.70
• TPSA: 130.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide?

The IUPAC name of 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide (CID 164607280) is 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide?

The canonical SMILES for 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide is C[C@H](NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2cccc(C#N)c2)nc1N)c1ccccn1.

What is the InChIKey of 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide?

The InChIKey is GRZZJIYEQZMIKA-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H21N7O/c1-17(22-9-2-3-12-31-22)33-28(36)26-27(30)35-25(20-7-4-6-18(14-20)16-29)24(34-26)21-10-11-23-19(15-21)8-5-13-32-23/h2-15,17H,1H3,(H2,30,35)(H,33,36)/t17-/m0/s1.

What are the key properties of 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide?

3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 164607280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).