4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile

C15H17N3O3 — CID 100774574

IUPAC4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile
SMILESCOCCn1c(C#N)cc(N)c1Oc1ccc(OC)cc1
InChIInChI=1S/C15H17N3O3/c1-19-8-7-18-11(10-16)9-14(17)15(18)21-13-5-3-12(20-2)4-6-13/h3-6,9H,7-8,17H2,1-2H3
InChIKeyHMRACRNCNPWVNR-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.39
Rot. Bonds6

About 4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile

4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile (PubChem CID 100774574) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile
PubChem CID100774574
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile
SMILESCOCCn1c(C#N)cc(N)c1Oc1ccc(OC)cc1
InChIInChI=1S/C15H17N3O3/c1-19-8-7-18-11(10-16)9-14(17)15(18)21-13-5-3-12(20-2)4-6-13/h3-6,9H,7-8,17H2,1-2H3
InChIKeyHMRACRNCNPWVNR-UHFFFAOYSA-N
XLogP2.39
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773744
4-amino-1-butyl-5-phenoxypyrrole-2-carbonitrile
CID 100773287
4-amino-1-ethyl-5-(4-fluorophenoxy)pyrrole-2-carbonitrile
CID 100774114
4-amino-1-[2-(4-methoxyphenoxy)ethyl]-5-(2-methylpropyl)pyrrole-2-carbonitrile
CID 100769894
4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
CID 100774435
4-amino-1-benzyl-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773692
4-amino-5-[(4-chlorophenyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile
CID 100769931
4-amino-1-butyl-5-(3-methylphenoxy)pyrrole-2-carbonitrile
CID 100773534
4-amino-5-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrole-2-carbonitrile
CID 100767755
4-amino-1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774427
4-amino-1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774423
4-amino-5-(1,3-benzodioxol-5-yloxy)-1-pentylpyrrole-2-carbonitrile
CID 100774825

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile?
The IUPAC name of 4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile (CID 100774574) is 4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile is COCCn1c(C#N)cc(N)c1Oc1ccc(OC)cc1.
What is the InChIKey of 4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile?
The InChIKey is HMRACRNCNPWVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-19-8-7-18-11(10-16)9-14(17)15(18)21-13-5-3-12(20-2)4-6-13/h3-6,9H,7-8,17H2,1-2H3.
What are the key properties of 4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile?
4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile is sourced from PubChem (CID 100774574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).