2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde

C13H20N2O3 — CID 114055511

IUPAC2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde
SMILESCOCCN(c1ncccc1C=O)C(C)COC
InChIInChI=1S/C13H20N2O3/c1-11(10-18-3)15(7-8-17-2)13-12(9-16)5-4-6-14-13/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyMKSCYRZKUGNTBY-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.38
Rot. Bonds8

About 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde

2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde (PubChem CID 114055511) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde
PubChem CID114055511
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde
SMILESCOCCN(c1ncccc1C=O)C(C)COC
InChIInChI=1S/C13H20N2O3/c1-11(10-18-3)15(7-8-17-2)13-12(9-16)5-4-6-14-13/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyMKSCYRZKUGNTBY-UHFFFAOYSA-N
XLogP1.38
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 104540169
3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde
CID 114055506
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 114057477
4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 55005343
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile
CID 55156482
6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methylpyrimidin-4-amine
CID 63728317
N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547062
3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 62282843

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde (CID 114055511) is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde is COCCN(c1ncccc1C=O)C(C)COC.
What is the InChIKey of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde?
The InChIKey is MKSCYRZKUGNTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11(10-18-3)15(7-8-17-2)13-12(9-16)5-4-6-14-13/h4-6,9,11H,7-8,10H2,1-3H3.
What are the key properties of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde?
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde has a molecular weight of 252.31 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 114055511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).