4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile

C13H19N3O2 — CID 55156482

IUPAC4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile
SMILESCOCCN(c1ccnc(C#N)c1)C(C)COC
InChIInChI=1S/C13H19N3O2/c1-11(10-18-3)16(6-7-17-2)13-4-5-15-12(8-13)9-14/h4-5,8,11H,6-7,10H2,1-3H3
InChIKeyGWDGXZCUABZXCI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.44
Rot. Bonds7

About 4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile

4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 55156482) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID55156482
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile
SMILESCOCCN(c1ccnc(C#N)c1)C(C)COC
InChIInChI=1S/C13H19N3O2/c1-11(10-18-3)16(6-7-17-2)13-4-5-15-12(8-13)9-14/h4-5,8,11H,6-7,10H2,1-3H3
InChIKeyGWDGXZCUABZXCI-UHFFFAOYSA-N
XLogP1.44
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)pyridin-4-amine
CID 62289768
4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile
CID 62927034
4-[ethyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62924784
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287084
2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
CID 62946990
4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62925478
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-(methylaminomethyl)pyridin-2-amine
CID 62289399
4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884216
2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544106
4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 55005343
4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile
CID 81055827
3-[butan-2-yl(2-methoxyethyl)amino]benzonitrile
CID 102815884

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile (CID 55156482) is 4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile is COCCN(c1ccnc(C#N)c1)C(C)COC.
What is the InChIKey of 4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is GWDGXZCUABZXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-11(10-18-3)16(6-7-17-2)13-4-5-15-12(8-13)9-14/h4-5,8,11H,6-7,10H2,1-3H3.
What are the key properties of 4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile?
4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 249.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 55156482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).