4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde

C14H18N2O2 — CID 153331906

IUPAC4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde
SMILESCC1(O)CN(Cc2cnc(C=O)cc2C2CC2)C1
InChIInChI=1S/C14H18N2O2/c1-14(18)8-16(9-14)6-11-5-15-12(7-17)4-13(11)10-2-3-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3
InChIKeyWNLQDYFKLHKYQU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.34
Rot. Bonds4

About 4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde

4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde (PubChem CID 153331906) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde
PubChem CID153331906
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde
SMILESCC1(O)CN(Cc2cnc(C=O)cc2C2CC2)C1
InChIInChI=1S/C14H18N2O2/c1-14(18)8-16(9-14)6-11-5-15-12(7-17)4-13(11)10-2-3-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3
InChIKeyWNLQDYFKLHKYQU-UHFFFAOYSA-N
XLogP1.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde?
The IUPAC name of 4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde (CID 153331906) is 4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde is CC1(O)CN(Cc2cnc(C=O)cc2C2CC2)C1.
What is the InChIKey of 4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde?
The InChIKey is WNLQDYFKLHKYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(18)8-16(9-14)6-11-5-15-12(7-17)4-13(11)10-2-3-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3.
What are the key properties of 4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde?
4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde has a molecular weight of 246.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 153331906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).