3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

C29H26N6O2 — CID 154604804

About 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604804) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 154604804
• Molecular Formula: C29H26N6O2
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.21
• IUPAC Name: 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: COc1cccnc1C(C)(C)NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N
• InChI: InChI=1S/C29H26N6O2/c1-29(2,26-22(37-3)12-8-16-32-26)35-28(36)25-27(30)34-23(18-9-5-4-6-10-18)24(33-25)20-13-14-21-19(17-20)11-7-15-31-21/h4-17H,1-3H3,(H2,30,34)(H,35,36)
• InChIKey: WBMHPTIKLMOOEZ-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 115.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604804) is 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is COc1cccnc1C(C)(C)NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N.

What is the InChIKey of 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?

The InChIKey is WBMHPTIKLMOOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-29(2,26-22(37-3)12-8-16-32-26)35-28(36)25-27(30)34-23(18-9-5-4-6-10-18)24(33-25)20-13-14-21-19(17-20)11-7-15-31-21/h4-17H,1-3H3,(H2,30,34)(H,35,36).

What are the key properties of 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?

3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).