2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile

C10H13N3O — CID 114770421

IUPAC2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile
SMILESCNCCOc1cc(C#N)cc(C)n1
InChIInChI=1S/C10H13N3O/c1-8-5-9(7-11)6-10(13-8)14-4-3-12-2/h5-6,12H,3-4H2,1-2H3
InChIKeyFULNSHPTFUCHHR-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.86
Rot. Bonds4

About 2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile

2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile (PubChem CID 114770421) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile
PubChem CID114770421
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile
SMILESCNCCOc1cc(C#N)cc(C)n1
InChIInChI=1S/C10H13N3O/c1-8-5-9(7-11)6-10(13-8)14-4-3-12-2/h5-6,12H,3-4H2,1-2H3
InChIKeyFULNSHPTFUCHHR-UHFFFAOYSA-N
XLogP0.86
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.86
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

2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile
CID 114766986
2-methyl-6-pent-4-enoxypyridine-4-carbonitrile
CID 114766957
2-methyl-6-(3-methylbut-3-enoxy)pyridine-4-carbonitrile
CID 114766998
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile
CID 114766974
2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile
CID 114766899
4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349314
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
CID 114770401
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride
CID 158177882
4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride
CID 146277545
2-(furan-2-ylmethoxy)-6-methylpyridine-4-carbonitrile
CID 114766756
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carbonitrile
CID 114766908

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile (CID 114770421) is 2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile is CNCCOc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile?
The InChIKey is FULNSHPTFUCHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-5-9(7-11)6-10(13-8)14-4-3-12-2/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile?
2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 114770421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).