6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile

C16H17N3O2 — CID 133390213

IUPAC6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile
SMILESCOc1cccc(COCCNc2ccc(C#N)cn2)c1
InChIInChI=1S/C16H17N3O2/c1-20-15-4-2-3-13(9-15)12-21-8-7-18-16-6-5-14(10-17)11-19-16/h2-6,9,11H,7-8,12H2,1H3,(H,18,19)
InChIKeyFZKHCNBLBDBAQU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.59
Rot. Bonds7

About 6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile

6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile (PubChem CID 133390213) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile
PubChem CID133390213
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile
SMILESCOc1cccc(COCCNc2ccc(C#N)cn2)c1
InChIInChI=1S/C16H17N3O2/c1-20-15-4-2-3-13(9-15)12-21-8-7-18-16-6-5-14(10-17)11-19-16/h2-6,9,11H,7-8,12H2,1H3,(H,18,19)
InChIKeyFZKHCNBLBDBAQU-UHFFFAOYSA-N
XLogP2.59
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.59
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

3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133390217
4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile
CID 133390220
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
N-[2-[(3-methoxyphenyl)methoxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133390223
N-ethyl-5-[(3-methoxyphenyl)methoxymethyl]pyridin-2-amine
CID 62195783
3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile
CID 133390237
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
6-(3-ethoxypropylamino)pyridine-3-carbonitrile
CID 24692457
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline
CID 62565551
6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
CID 133294986
5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444684

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile (CID 133390213) is 6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile is COc1cccc(COCCNc2ccc(C#N)cn2)c1.
What is the InChIKey of 6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile?
The InChIKey is FZKHCNBLBDBAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-15-4-2-3-13(9-15)12-21-8-7-18-16-6-5-14(10-17)11-19-16/h2-6,9,11H,7-8,12H2,1H3,(H,18,19).
What are the key properties of 6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile?
6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133390213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).