6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile

C17H20N4O — CID 133392284

IUPAC6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile
SMILESCN(C)CCOc1ccccc1CNc1cccc(C#N)n1
InChIInChI=1S/C17H20N4O/c1-21(2)10-11-22-16-8-4-3-6-14(16)13-19-17-9-5-7-15(12-18)20-17/h3-9H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyQVVMCMBMEVRVFP-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.51
Rot. Bonds7

About 6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile

6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile (PubChem CID 133392284) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile
PubChem CID133392284
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile
SMILESCN(C)CCOc1ccccc1CNc1cccc(C#N)n1
InChIInChI=1S/C17H20N4O/c1-21(2)10-11-22-16-8-4-3-6-14(16)13-19-17-9-5-7-15(12-18)20-17/h3-9H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyQVVMCMBMEVRVFP-UHFFFAOYSA-N
XLogP2.51
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile
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N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932
2-methyl-N-[[2-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
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6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 81090675
1-tert-butyl-3-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110964844
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methylbutan-1-amine
CID 62425318
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
CID 56823330
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
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CID 133392143

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile (CID 133392284) is 6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile is CN(C)CCOc1ccccc1CNc1cccc(C#N)n1.
What is the InChIKey of 6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is QVVMCMBMEVRVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-21(2)10-11-22-16-8-4-3-6-14(16)13-19-17-9-5-7-15(12-18)20-17/h3-9H,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of 6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile?
6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).