2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde

C12H18N2O3 — CID 142393035

IUPAC2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde
SMILESCCc1cc(C=O)c(C(OC)OC)nc1NC
InChIInChI=1S/C12H18N2O3/c1-5-8-6-9(7-15)10(12(16-3)17-4)14-11(8)13-2/h6-7,12H,5H2,1-4H3,(H,13,14)
InChIKeyZKSMTWHIHIJREE-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.79
Rot. Bonds6

About 2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde

2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde (PubChem CID 142393035) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde
PubChem CID142393035
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde
SMILESCCc1cc(C=O)c(C(OC)OC)nc1NC
InChIInChI=1S/C12H18N2O3/c1-5-8-6-9(7-15)10(12(16-3)17-4)14-11(8)13-2/h6-7,12H,5H2,1-4H3,(H,13,14)
InChIKeyZKSMTWHIHIJREE-UHFFFAOYSA-N
XLogP1.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-(dimethoxymethyl)-3-ethyl-N-methylpyridin-2-amine
CID 142284755
5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-quinoline-3-carbaldehyde
CID 159500959
3-ethyl-N,5,7-trimethylquinolin-2-amine
CID 63231542
3,8-diethyl-N-methylquinolin-2-amine
CID 63232457
5-chloro-3-ethyl-8-methoxy-N-methylquinolin-2-amine
CID 63232251
3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine
CID 63232484
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde
CID 118808991
5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine
CID 138608597
5,7-dichloro-3-ethyl-N-methylquinolin-2-amine
CID 63531730
2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde
CID 130085753
4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
CID 22039501
3-ethyl-7-fluoro-N,8-dimethylquinolin-2-amine
CID 63232558

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde?
The IUPAC name of 2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde (CID 142393035) is 2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde is CCc1cc(C=O)c(C(OC)OC)nc1NC.
What is the InChIKey of 2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde?
The InChIKey is ZKSMTWHIHIJREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-5-8-6-9(7-15)10(12(16-3)17-4)14-11(8)13-2/h6-7,12H,5H2,1-4H3,(H,13,14).
What are the key properties of 2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde?
2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde has a molecular weight of 238.29 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-5-ethyl-6-(methylamino)pyridine-3-carbaldehyde is sourced from PubChem (CID 142393035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).