6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile

C9H11N3O — CID 62349619

IUPAC6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
SMILESCNCCOc1ccc(C#N)cn1
InChIInChI=1S/C9H11N3O/c1-11-4-5-13-9-3-2-8(6-10)7-12-9/h2-3,7,11H,4-5H2,1H3
InChIKeyQDMVUWFUAWJNAR-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.55
Rot. Bonds4

About 6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile

6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile (PubChem CID 62349619) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
PubChem CID62349619
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
SMILESCNCCOc1ccc(C#N)cn1
InChIInChI=1S/C9H11N3O/c1-11-4-5-13-9-3-2-8(6-10)7-12-9/h2-3,7,11H,4-5H2,1H3
InChIKeyQDMVUWFUAWJNAR-UHFFFAOYSA-N
XLogP0.55
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
CID 62348286
6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
CID 150538263
4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride
CID 146277545
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
2-[(5-methoxy-2-pyridinyl)oxy]-N-methylethanamine
CID 106504848
6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 82788068
6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile
CID 103177589
3-bromo-4-[2-(methylamino)ethoxy]benzonitrile
CID 82801378
2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile
CID 114770421
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
CID 55137110
6-(1-chloroethoxy)pyridine-3-carbonitrile
CID 143861415

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile (CID 62349619) is 6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile is CNCCOc1ccc(C#N)cn1.
What is the InChIKey of 6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile?
The InChIKey is QDMVUWFUAWJNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-11-4-5-13-9-3-2-8(6-10)7-12-9/h2-3,7,11H,4-5H2,1H3.
What are the key properties of 6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile?
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 62349619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).