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

C29H26N6O — CID 154604777

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

3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604777) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 154604777
• Molecular Formula: C29H26N6O
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.22
• IUPAC Name: 3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: Cc1cccnc1C(C)(C)NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N
• InChI: InChI=1S/C29H26N6O/c1-18-9-7-16-32-26(18)29(2,3)35-28(36)25-27(30)34-23(19-10-5-4-6-11-19)24(33-25)21-13-14-22-20(17-21)12-8-15-31-22/h4-17H,1-3H3,(H2,30,34)(H,35,36)
• InChIKey: SIGSVWKBPWDWOD-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 106.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604777) is 3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is Cc1cccnc1C(C)(C)NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N.

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

The InChIKey is SIGSVWKBPWDWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c1-18-9-7-16-32-26(18)29(2,3)35-28(36)25-27(30)34-23(19-10-5-4-6-11-19)24(33-25)21-13-14-22-20(17-21)12-8-15-31-22/h4-17H,1-3H3,(H2,30,34)(H,35,36).

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

3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).