2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile

C14H15N3O2 — CID 82299900

IUPAC2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile
SMILESCOc1cc(-c2cc(C#N)c(N)[nH]2)c(OC)cc1C
InChIInChI=1S/C14H15N3O2/c1-8-4-13(19-3)10(6-12(8)18-2)11-5-9(7-15)14(16)17-11/h4-6,17H,16H2,1-3H3
InChIKeyBWORFAYQOWVUJL-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.46
Rot. Bonds3

About 2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile

2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile (PubChem CID 82299900) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile
PubChem CID82299900
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile
SMILESCOc1cc(-c2cc(C#N)c(N)[nH]2)c(OC)cc1C
InChIInChI=1S/C14H15N3O2/c1-8-4-13(19-3)10(6-12(8)18-2)11-5-9(7-15)14(16)17-11/h4-6,17H,16H2,1-3H3
InChIKeyBWORFAYQOWVUJL-UHFFFAOYSA-N
XLogP2.46
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxy-4-propan-2-ylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828140
5-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828197
2-bromo-5-methoxy-4-methylbenzonitrile
CID 117324664
4-amino-2-methoxy-5-methylbenzonitrile
CID 23068192
5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828138
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82479888
2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile
CID 82482561
4-(2,5-dimethoxy-4-methylphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168588245
5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazol-2-amine
CID 82290583
5-(2-methoxy-4,5-dimethylphenyl)-1,2-dimethylpyrrole-3-carbonitrile
CID 116828589
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile (CID 82299900) is 2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile is COc1cc(-c2cc(C#N)c(N)[nH]2)c(OC)cc1C.
What is the InChIKey of 2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile?
The InChIKey is BWORFAYQOWVUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-4-13(19-3)10(6-12(8)18-2)11-5-9(7-15)14(16)17-11/h4-6,17H,16H2,1-3H3.
What are the key properties of 2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile?
2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,5-dimethoxy-4-methylphenyl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 82299900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).