3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile

C10H14N4O — CID 82817144

IUPAC3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile
SMILESCOCCN(C)c1nccc(C#N)c1N
InChIInChI=1S/C10H14N4O/c1-14(5-6-15-2)10-9(12)8(7-11)3-4-13-10/h3-4H,5-6,12H2,1-2H3
InChIKeyDCOXFJIVJZVBHN-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.62
Rot. Bonds4

About 3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile

3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile (PubChem CID 82817144) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile
PubChem CID82817144
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile
SMILESCOCCN(C)c1nccc(C#N)c1N
InChIInChI=1S/C10H14N4O/c1-14(5-6-15-2)10-9(12)8(7-11)3-4-13-10/h3-4H,5-6,12H2,1-2H3
InChIKeyDCOXFJIVJZVBHN-UHFFFAOYSA-N
XLogP0.62
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile (CID 82817144) is 3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile is COCCN(C)c1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile?
The InChIKey is DCOXFJIVJZVBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-14(5-6-15-2)10-9(12)8(7-11)3-4-13-10/h3-4H,5-6,12H2,1-2H3.
What are the key properties of 3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile?
3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 82817144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).