4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile

C20H19N3O2 — CID 100774276

IUPAC4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile
SMILESCOc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccc(C)cc1
InChIInChI=1S/C20H19N3O2/c1-14-7-9-15(10-8-14)13-23-16(12-21)11-17(22)20(23)25-19-6-4-3-5-18(19)24-2/h3-11H,13,22H2,1-2H3
InChIKeyABTGMQXTYPATFS-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.10
Rot. Bonds5

About 4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile

4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile (PubChem CID 100774276) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile
PubChem CID100774276
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile
SMILESCOc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccc(C)cc1
InChIInChI=1S/C20H19N3O2/c1-14-7-9-15(10-8-14)13-23-16(12-21)11-17(22)20(23)25-19-6-4-3-5-18(19)24-2/h3-11H,13,22H2,1-2H3
InChIKeyABTGMQXTYPATFS-UHFFFAOYSA-N
XLogP4.10
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-benzyl-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773692
4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile
CID 100774221
4-amino-1-benzyl-5-[(2-methylpropan-2-yl)oxy]pyrrole-2-carbonitrile
CID 100772693
4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile
CID 100773756
4-amino-1-benzyl-5-(2-methoxyethoxy)pyrrole-2-carbonitrile
CID 100772785
4-amino-1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxy]pyrrole-2-carbonitrile
CID 100772722
4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile
CID 100773761
4-amino-1-benzyl-5-(3-chlorophenoxy)pyrrole-2-carbonitrile
CID 100773935
4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile
CID 100774591
4-amino-1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774427
methyl 4-[3-amino-1-[(4-chlorophenyl)methyl]-5-cyanopyrrol-2-yl]oxybenzoate
CID 100775050
4-amino-5-[(2S)-1-methoxypropan-2-yl]oxy-1-[(3-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100773053

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile (CID 100774276) is 4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile is COc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccc(C)cc1.
What is the InChIKey of 4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile?
The InChIKey is ABTGMQXTYPATFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-7-9-15(10-8-14)13-23-16(12-21)11-17(22)20(23)25-19-6-4-3-5-18(19)24-2/h3-11H,13,22H2,1-2H3.
What are the key properties of 4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile?
4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile has a molecular weight of 333.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 100774276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).