2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

C20H23N7O — CID 67098794

About 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 67098794) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
• PubChem CID: 67098794
• Molecular Formula: C20H23N7O
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.20
• IUPAC Name: 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
• SMILES: CCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1
• InChI: InChI=1S/C20H23N7O/c1-4-15-5-6-16(12-23-15)28-8-7-22-20-17(11-21)13(2)9-18(25-20)24-19-10-14(3)26-27-19/h5-6,9-10,12H,4,7-8H2,1-3H3,(H3,22,24,25,26,27)
• InChIKey: NKWGBOOLJXYPQR-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 111.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	3.49
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 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?

The IUPAC name of 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (CID 67098794) is 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.

What is the SMILES notation for 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?

The canonical SMILES for 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is CCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1.

What is the InChIKey of 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?

The InChIKey is NKWGBOOLJXYPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-4-15-5-6-16(12-23-15)28-8-7-22-20-17(11-21)13(2)9-18(25-20)24-19-10-14(3)26-27-19/h5-6,9-10,12H,4,7-8H2,1-3H3,(H3,22,24,25,26,27).

What are the key properties of 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?

2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 377.45 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 67098794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).