6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride

C18H21Cl2N7O — CID 67098352

About 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride

6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride (PubChem CID 67098352) has the molecular formula C18H21Cl2N7O and a molecular weight of 422.32 g/mol. Its IUPAC name is 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride.

Molecular Properties

• Compound Name: 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride
• PubChem CID: 67098352
• Molecular Formula: C18H21Cl2N7O
• Molecular Weight: 422.32 g/mol
• Exact Mass: 421.12
• IUPAC Name: 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride
• SMILES: Cc1cc(Nc2ccc(C#N)c(NCCOc3cccnc3C)n2)n[nH]1.Cl.Cl
• InChI: InChI=1S/C18H19N7O.2ClH/c1-12-10-17(25-24-12)22-16-6-5-14(11-19)18(23-16)21-8-9-26-15-4-3-7-20-13(15)2;;/h3-7,10H,8-9H2,1-2H3,(H3,21,22,23,24,25);2*1H
• InChIKey: ZWAQDCFGSVAYQZ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 111.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.32
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride?

The IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride (CID 67098352) is 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride.

What is the SMILES notation for 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride?

The canonical SMILES for 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride is Cc1cc(Nc2ccc(C#N)c(NCCOc3cccnc3C)n2)n[nH]1.Cl.Cl.

What is the InChIKey of 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride?

The InChIKey is ZWAQDCFGSVAYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O.2ClH/c1-12-10-17(25-24-12)22-16-6-5-14(11-19)18(23-16)21-8-9-26-15-4-3-7-20-13(15)2;;/h3-7,10H,8-9H2,1-2H3,(H3,21,22,23,24,25);2*1H.

What are the key properties of 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride?

6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride has a molecular weight of 422.32 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride is sourced from PubChem (CID 67098352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).