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

C23H22N6O — CID 56968316

IUPAC2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CC3)cc(-c3cncc(N4CCC(O)C4)c3)n2)c1
InChIInChI=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)
InChIKeyXAMOXDRJAQFSNB-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.60
Rot. Bonds5

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 Name2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
PubChem CID56968316
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CC3)cc(-c3cncc(N4CCC(O)C4)c3)n2)c1
InChIInChI=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)
InChIKeyXAMOXDRJAQFSNB-UHFFFAOYSA-N
XLogP3.60
TPSA97.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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).