2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde

C14H20N2O2 — CID 118880411

IUPAC2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde
SMILESCCN(c1ncc(C)cc1C=O)C1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-3-16(13-4-6-18-7-5-13)14-12(10-17)8-11(2)9-15-14/h8-10,13H,3-7H2,1-2H3
InChIKeyPKYFEWDDPCYRLD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.21
Rot. Bonds4

About 2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde

2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde (PubChem CID 118880411) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde
PubChem CID118880411
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde
SMILESCCN(c1ncc(C)cc1C=O)C1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-3-16(13-4-6-18-7-5-13)14-12(10-17)8-11(2)9-15-14/h8-10,13H,3-7H2,1-2H3
InChIKeyPKYFEWDDPCYRLD-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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 2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde (CID 118880411) is 2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde is CCN(c1ncc(C)cc1C=O)C1CCOCC1.
What is the InChIKey of 2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde?
The InChIKey is PKYFEWDDPCYRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16(13-4-6-18-7-5-13)14-12(10-17)8-11(2)9-15-14/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde?
2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde has a molecular weight of 248.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxan-4-yl)amino]-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 118880411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).