5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde

C14H20N2O2 — CID 80631209

IUPAC5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N(C)CC1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-11-7-13(10-17)8-15-14(11)16(2)9-12-3-5-18-6-4-12/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyDZFSSSSGGVJOOV-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.07
Rot. Bonds4

About 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde

5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde (PubChem CID 80631209) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde
PubChem CID80631209
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N(C)CC1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-11-7-13(10-17)8-15-14(11)16(2)9-12-3-5-18-6-4-12/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyDZFSSSSGGVJOOV-UHFFFAOYSA-N
XLogP2.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
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 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde (CID 80631209) is 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1N(C)CC1CCOCC1.
What is the InChIKey of 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde?
The InChIKey is DZFSSSSGGVJOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-7-13(10-17)8-15-14(11)16(2)9-12-3-5-18-6-4-12/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde?
5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde has a molecular weight of 248.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80631209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).