2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile

C₂₃H₂₂N₆O — CID 56968316

About 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile

2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile (PubChem CID 56968316) has the molecular formula C₂₃H₂₂N₆O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
• PubChem CID: 56968316
• Molecular Formula: C₂₃H₂₂N₆O
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.19
• IUPAC Name: 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
• SMILES: N#Cc1ccnc(Nc2cc(C3CC3)cc(-c3cncc(N4CCC(O)C4)c3)n2)c1
• InChI: InChI=1S/C23H22N6O/c24-11-15-3-5-26-22(7-15)28-23-10-17(16-1-2-16)9-21(27-23)18-8-19(13-25-12-18)29-6-4-20(30)14-29/h3,5,7-10,12-13,16,20,30H,1-2,4,6,14H2,(H,26,27,28)
• InChIKey: XAMOXDRJAQFSNB-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 97.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?

The IUPAC name of 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile (CID 56968316) is 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile.

What is the SMILES notation for 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?

The canonical SMILES for 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2cc(C3CC3)cc(-c3cncc(N4CCC(O)C4)c3)n2)c1.

What is the InChIKey of 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?

The InChIKey is XAMOXDRJAQFSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c24-11-15-3-5-26-22(7-15)28-23-10-17(16-1-2-16)9-21(27-23)18-8-19(13-25-12-18)29-6-4-20(30)14-29/h3,5,7-10,12-13,16,20,30H,1-2,4,6,14H2,(H,26,27,28).

What are the key properties of 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile?

2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile has a molecular weight of 398.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 56968316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 56968316 — identifiers, structure, computed properties (public domain)

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