2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile

C13H20N4O — CID 104705443

IUPAC2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(NCCOCCN(C)C)c1C#N
InChIInChI=1S/C13H20N4O/c1-11-4-5-15-13(12(11)10-14)16-6-8-18-9-7-17(2)3/h4-5H,6-9H2,1-3H3,(H,15,16)
InChIKeyMSFVZGONSOPAPV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.25
Rot. Bonds7

About 2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile

2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile (PubChem CID 104705443) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile
PubChem CID104705443
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(NCCOCCN(C)C)c1C#N
InChIInChI=1S/C13H20N4O/c1-11-4-5-15-13(12(11)10-14)16-6-8-18-9-7-17(2)3/h4-5H,6-9H2,1-3H3,(H,15,16)
InChIKeyMSFVZGONSOPAPV-UHFFFAOYSA-N
XLogP1.25
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941151
4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
CID 113412232
2-[2-(2-hydroxypropylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 104594443
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156
4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
CID 104925639
3-[2-[2-(dimethylamino)ethoxy]ethylamino]pyrazine-2-carbothioamide
CID 114127823
2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile
CID 114127686
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylbenzonitrile
CID 114127687
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile (CID 104705443) is 2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile is Cc1ccnc(NCCOCCN(C)C)c1C#N.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile?
The InChIKey is MSFVZGONSOPAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-11-4-5-15-13(12(11)10-14)16-6-8-18-9-7-17(2)3/h4-5H,6-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile?
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 104705443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).