4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile

C17H19N3O2 — CID 100774373

IUPAC4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile
SMILESCOc1cccc(Oc2c(N)cc(C#N)n2C2CCCC2)c1
InChIInChI=1S/C17H19N3O2/c1-21-14-7-4-8-15(10-14)22-17-16(19)9-13(11-18)20(17)12-5-2-3-6-12/h4,7-10,12H,2-3,5-6,19H2,1H3
InChIKeyYQRNSILPRBNICQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.86
Rot. Bonds4

About 4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile

4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile (PubChem CID 100774373) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile
PubChem CID100774373
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile
SMILESCOc1cccc(Oc2c(N)cc(C#N)n2C2CCCC2)c1
InChIInChI=1S/C17H19N3O2/c1-21-14-7-4-8-15(10-14)22-17-16(19)9-13(11-18)20(17)12-5-2-3-6-12/h4,7-10,12H,2-3,5-6,19H2,1H3
InChIKeyYQRNSILPRBNICQ-UHFFFAOYSA-N
XLogP3.86
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
CID 100774435
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-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774574
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
4-amino-1-cyclopentyl-5-(3,5-dimethylpiperidin-1-yl)pyrrole-2-carbonitrile
CID 133168407
4-amino-1-cyclopentyl-5-(3-methylbutyl)pyrrole-2-carbonitrile
CID 100767590
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
4-amino-1-butyl-5-(3-methylphenoxy)pyrrole-2-carbonitrile
CID 100773534
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
4-amino-1-benzyl-5-(3-chlorophenoxy)pyrrole-2-carbonitrile
CID 100773935
4-amino-1-butyl-5-phenoxypyrrole-2-carbonitrile
CID 100773287

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile?
The IUPAC name of 4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile (CID 100774373) is 4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile is COc1cccc(Oc2c(N)cc(C#N)n2C2CCCC2)c1.
What is the InChIKey of 4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile?
The InChIKey is YQRNSILPRBNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-21-14-7-4-8-15(10-14)22-17-16(19)9-13(11-18)20(17)12-5-2-3-6-12/h4,7-10,12H,2-3,5-6,19H2,1H3.
What are the key properties of 4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile?
4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopentyl-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile is sourced from PubChem (CID 100774373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).