5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile

C15H16N4O2 — CID 133484456

IUPAC5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
SMILESCOc1cccc(OC(C)CNc2cnc(C#N)cn2)c1
InChIInChI=1S/C15H16N4O2/c1-11(21-14-5-3-4-13(6-14)20-2)8-18-15-10-17-12(7-16)9-19-15/h3-6,9-11H,8H2,1-2H3,(H,18,19)
InChIKeyUAOCPVARGQVMIX-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.24
Rot. Bonds6

About 5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile

5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile (PubChem CID 133484456) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
PubChem CID133484456
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
SMILESCOc1cccc(OC(C)CNc2cnc(C#N)cn2)c1
InChIInChI=1S/C15H16N4O2/c1-11(21-14-5-3-4-13(6-14)20-2)8-18-15-10-17-12(7-16)9-19-15/h3-6,9-11H,8H2,1-2H3,(H,18,19)
InChIKeyUAOCPVARGQVMIX-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048078
5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile
CID 133492768
6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
CID 133323999
5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine
CID 133323967
5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490912
2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid
CID 65226638
5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile
CID 133485018
1-methoxy-3-(4-methylpentan-2-yloxy)benzene
CID 102109501
5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
CID 104917594
5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491293
N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
CID 54797523
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile (CID 133484456) is 5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile is COc1cccc(OC(C)CNc2cnc(C#N)cn2)c1.
What is the InChIKey of 5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile?
The InChIKey is UAOCPVARGQVMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11(21-14-5-3-4-13(6-14)20-2)8-18-15-10-17-12(7-16)9-19-15/h3-6,9-11H,8H2,1-2H3,(H,18,19).
What are the key properties of 5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile?
5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).