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

C20H23N5O — CID 90024952

IUPAC2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESCc1cc(C2CCN(C3COC3)CC2)cc(Nc2cc(C#N)ccn2)n1
InChIInChI=1S/C20H23N5O/c1-14-8-17(16-3-6-25(7-4-16)18-12-26-13-18)10-20(23-14)24-19-9-15(11-21)2-5-22-19/h2,5,8-10,16,18H,3-4,6-7,12-13H2,1H3,(H,22,23,24)
InChIKeyLNGNXKRWIDCEAU-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.98
Rot. Bonds4

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

2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile (PubChem CID 90024952) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
PubChem CID90024952
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESCc1cc(C2CCN(C3COC3)CC2)cc(Nc2cc(C#N)ccn2)n1
InChIInChI=1S/C20H23N5O/c1-14-8-17(16-3-6-25(7-4-16)18-12-26-13-18)10-20(23-14)24-19-9-15(11-21)2-5-22-19/h2,5,8-10,16,18H,3-4,6-7,12-13H2,1H3,(H,22,23,24)
InChIKeyLNGNXKRWIDCEAU-UHFFFAOYSA-N
XLogP2.98
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile (CID 90024952) is 2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile is Cc1cc(C2CCN(C3COC3)CC2)cc(Nc2cc(C#N)ccn2)n1.
What is the InChIKey of 2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The InChIKey is LNGNXKRWIDCEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-8-17(16-3-6-25(7-4-16)18-12-26-13-18)10-20(23-14)24-19-9-15(11-21)2-5-22-19/h2,5,8-10,16,18H,3-4,6-7,12-13H2,1H3,(H,22,23,24).
What are the key properties of 2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile has a molecular weight of 349.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 90024952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).