2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile

C16H25N3O — CID 59848727

IUPAC2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile
SMILESCCN(CCOC)Cc1cnc(C(C)(C)C)c(C#N)c1
InChIInChI=1S/C16H25N3O/c1-6-19(7-8-20-5)12-13-9-14(10-17)15(18-11-13)16(2,3)4/h9,11H,6-8,12H2,1-5H3
InChIKeyVLOTYGTWXRXKBF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.72
Rot. Bonds6

About 2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile

2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile (PubChem CID 59848727) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile
PubChem CID59848727
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile
SMILESCCN(CCOC)Cc1cnc(C(C)(C)C)c(C#N)c1
InChIInChI=1S/C16H25N3O/c1-6-19(7-8-20-5)12-13-9-14(10-17)15(18-11-13)16(2,3)4/h9,11H,6-8,12H2,1-5H3
InChIKeyVLOTYGTWXRXKBF-UHFFFAOYSA-N
XLogP2.72
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile?
The IUPAC name of 2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile (CID 59848727) is 2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile is CCN(CCOC)Cc1cnc(C(C)(C)C)c(C#N)c1.
What is the InChIKey of 2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile?
The InChIKey is VLOTYGTWXRXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-6-19(7-8-20-5)12-13-9-14(10-17)15(18-11-13)16(2,3)4/h9,11H,6-8,12H2,1-5H3.
What are the key properties of 2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile?
2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile has a molecular weight of 275.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 59848727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).