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

C14H21N3O — CID 59848736

IUPAC2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile
SMILESCN(CCO)Cc1cnc(C(C)(C)C)c(C#N)c1
InChIInChI=1S/C14H21N3O/c1-14(2,3)13-12(8-15)7-11(9-16-13)10-17(4)5-6-18/h7,9,18H,5-6,10H2,1-4H3
InChIKeyQAOAJXKXNYLUCF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.67
Rot. Bonds4

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

2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile (PubChem CID 59848736) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile
PubChem CID59848736
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile
SMILESCN(CCO)Cc1cnc(C(C)(C)C)c(C#N)c1
InChIInChI=1S/C14H21N3O/c1-14(2,3)13-12(8-15)7-11(9-16-13)10-17(4)5-6-18/h7,9,18H,5-6,10H2,1-4H3
InChIKeyQAOAJXKXNYLUCF-UHFFFAOYSA-N
XLogP1.67
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile?
The IUPAC name of 2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile (CID 59848736) is 2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile is CN(CCO)Cc1cnc(C(C)(C)C)c(C#N)c1.
What is the InChIKey of 2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile?
The InChIKey is QAOAJXKXNYLUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)13-12(8-15)7-11(9-16-13)10-17(4)5-6-18/h7,9,18H,5-6,10H2,1-4H3.
What are the key properties of 2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile?
2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile has a molecular weight of 247.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 59848736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).