4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile

C16H17N3O2 — CID 79244990

IUPAC4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
SMILESCCNc1ccnc(COc2ccc(C#N)cc2OC)c1
InChIInChI=1S/C16H17N3O2/c1-3-18-13-6-7-19-14(9-13)11-21-15-5-4-12(10-17)8-16(15)20-2/h4-9H,3,11H2,1-2H3,(H,18,19)
InChIKeyGMMLQERXGXFNHZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.97
Rot. Bonds6

About 4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile

4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile (PubChem CID 79244990) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
PubChem CID79244990
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
SMILESCCNc1ccnc(COc2ccc(C#N)cc2OC)c1
InChIInChI=1S/C16H17N3O2/c1-3-18-13-6-7-19-14(9-13)11-21-15-5-4-12(10-17)8-16(15)20-2/h4-9H,3,11H2,1-2H3,(H,18,19)
InChIKeyGMMLQERXGXFNHZ-UHFFFAOYSA-N
XLogP2.97
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660604
4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
CID 103058089
4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
CID 79239685
2-(ethoxymethyl)-N-ethylpyridin-4-amine
CID 79251240
N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine
CID 79245220
4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
CID 62884936
3-methoxy-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methoxy]benzonitrile
CID 80610430
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile (CID 79244990) is 4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile is CCNc1ccnc(COc2ccc(C#N)cc2OC)c1.
What is the InChIKey of 4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile?
The InChIKey is GMMLQERXGXFNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-18-13-6-7-19-14(9-13)11-21-15-5-4-12(10-17)8-16(15)20-2/h4-9H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile?
4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 79244990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).