4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile

C15H16N4O2 — CID 103058089

IUPAC4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
SMILESCCNc1cnc(COc2ccc(C#N)cc2OC)cn1
InChIInChI=1S/C15H16N4O2/c1-3-17-15-9-18-12(8-19-15)10-21-13-5-4-11(7-16)6-14(13)20-2/h4-6,8-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyPNULPZOREAXMBS-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.37
Rot. Bonds6

About 4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile

4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile (PubChem CID 103058089) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
PubChem CID103058089
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
SMILESCCNc1cnc(COc2ccc(C#N)cc2OC)cn1
InChIInChI=1S/C15H16N4O2/c1-3-17-15-9-18-12(8-19-15)10-21-13-5-4-11(7-16)6-14(13)20-2/h4-6,8-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyPNULPZOREAXMBS-UHFFFAOYSA-N
XLogP2.37
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
CID 107660576
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689
4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
CID 79244990
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059015
4-[[6-(ethylamino)-2-pyridinyl]oxy]-3-methoxybenzonitrile
CID 80863266
4-[(5-bromo-2-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 104797266
4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
CID 79239685
3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile
CID 106951523
4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
CID 62884936
5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058495

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile (CID 103058089) is 4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile is CCNc1cnc(COc2ccc(C#N)cc2OC)cn1.
What is the InChIKey of 4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile?
The InChIKey is PNULPZOREAXMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-17-15-9-18-12(8-19-15)10-21-13-5-4-11(7-16)6-14(13)20-2/h4-6,8-9H,3,10H2,1-2H3,(H,17,19).
What are the key properties of 4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile?
4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile has a molecular weight of 284.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 103058089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).