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

C18H21Cl2N7O — CID 67098880

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

6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride (PubChem CID 67098880) 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-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride.

Molecular Properties

• Compound Name: 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride
• PubChem CID: 67098880
• 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-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride
• SMILES: Cc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)ccc2C#N)cn1.Cl.Cl
• InChI: InChI=1S/C18H19N7O.2ClH/c1-12-3-5-15(11-21-12)26-8-7-20-18-14(10-19)4-6-16(23-18)22-17-9-13(2)24-25-17;;/h3-6,9,11H,7-8H2,1-2H3,(H3,20,22,23,24,25);2*1H
• InChIKey: UUTIDCCBBAERTK-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-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride?

The IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride (CID 67098880) is 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-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-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride?

The canonical SMILES for 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride is Cc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)ccc2C#N)cn1.Cl.Cl.

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

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

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

6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-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-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride is sourced from PubChem (CID 67098880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).