2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile

C22H26N6O — CID 72547727

IUPAC2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC3)n2)c1
InChIInChI=1S/C22H26N6O/c23-13-16-2-5-24-20(10-16)25-21-11-18(12-22(26-21)28-6-1-7-28)17-3-8-27(9-4-17)19-14-29-15-19/h2,5,10-12,17,19H,1,3-4,6-9,14-15H2,(H,24,25,26)
InChIKeyLRIIFYKTGXAZMR-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.88
Rot. Bonds5

About 2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile

2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile (PubChem CID 72547727) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
PubChem CID72547727
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC3)n2)c1
InChIInChI=1S/C22H26N6O/c23-13-16-2-5-24-20(10-16)25-21-11-18(12-22(26-21)28-6-1-7-28)17-3-8-27(9-4-17)19-14-29-15-19/h2,5,10-12,17,19H,1,3-4,6-9,14-15H2,(H,24,25,26)
InChIKeyLRIIFYKTGXAZMR-UHFFFAOYSA-N
XLogP2.88
TPSA77.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile (CID 72547727) is 2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC3)n2)c1.
What is the InChIKey of 2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The InChIKey is LRIIFYKTGXAZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c23-13-16-2-5-24-20(10-16)25-21-11-18(12-22(26-21)28-6-1-7-28)17-3-8-27(9-4-17)19-14-29-15-19/h2,5,10-12,17,19H,1,3-4,6-9,14-15H2,(H,24,25,26).
What are the key properties of 2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile has a molecular weight of 390.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(azetidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 72547727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).