2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide

C24H20FN7O — CID 156830928

About 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide

2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide (PubChem CID 156830928) has the molecular formula C24H20FN7O and a molecular weight of 441.47 g/mol. Its IUPAC name is 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
• PubChem CID: 156830928
• Molecular Formula: C24H20FN7O
• Molecular Weight: 441.47 g/mol
• Exact Mass: 441.17
• IUPAC Name: 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
• SMILES: Cc1cc2cc(C(=O)N(Cc3ccc(C#N)nn3)[C@H](C)c3ncccc3F)ccc2nc1N
• InChI: InChI=1S/C24H20FN7O/c1-14-10-17-11-16(5-8-21(17)29-23(14)27)24(33)32(13-19-7-6-18(12-26)30-31-19)15(2)22-20(25)4-3-9-28-22/h3-11,15H,13H2,1-2H3,(H2,27,29)/t15-/m1/s1
• InChIKey: YQZWRQJGFRIRIV-OAHLLOKOSA-N
• XLogP: 3.72
• TPSA: 121.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.47
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide?

The IUPAC name of 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide (CID 156830928) is 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide.

What is the SMILES notation for 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide?

The canonical SMILES for 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C#N)nn3)[C@H](C)c3ncccc3F)ccc2nc1N.

What is the InChIKey of 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide?

The InChIKey is YQZWRQJGFRIRIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H20FN7O/c1-14-10-17-11-16(5-8-21(17)29-23(14)27)24(33)32(13-19-7-6-18(12-26)30-31-19)15(2)22-20(25)4-3-9-28-22/h3-11,15H,13H2,1-2H3,(H2,27,29)/t15-/m1/s1.

What are the key properties of 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide?

2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide is sourced from PubChem (CID 156830928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).