4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile

C17H18N4O — CID 154883434

IUPAC4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CC(COc3cccnc3)C2)n1
InChIInChI=1S/C17H18N4O/c1-12-6-13(2)20-17(16(12)7-18)21-9-14(10-21)11-22-15-4-3-5-19-8-15/h3-6,8,14H,9-11H2,1-2H3
InChIKeyZBAITFAYNYGTJD-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.48
Rot. Bonds4

About 4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile

4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile (PubChem CID 154883434) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile
PubChem CID154883434
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CC(COc3cccnc3)C2)n1
InChIInChI=1S/C17H18N4O/c1-12-6-13(2)20-17(16(12)7-18)21-9-14(10-21)11-22-15-4-3-5-19-8-15/h3-6,8,14H,9-11H2,1-2H3
InChIKeyZBAITFAYNYGTJD-UHFFFAOYSA-N
XLogP2.48
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile (CID 154883434) is 4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CC(COc3cccnc3)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZBAITFAYNYGTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-6-13(2)20-17(16(12)7-18)21-9-14(10-21)11-22-15-4-3-5-19-8-15/h3-6,8,14H,9-11H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile?
4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 154883434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).