5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide

C12H13N3O — CID 86299506

IUPAC5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2N)cc1C(N)=O
InChIInChI=1S/C12H13N3O/c1-7-9(12(14)16)6-11(15-7)8-4-2-3-5-10(8)13/h2-6,15H,13H2,1H3,(H2,14,16)
InChIKeyUBOQKPCXNYZXEW-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.67
Rot. Bonds2

About 5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide

5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 86299506) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID86299506
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2N)cc1C(N)=O
InChIInChI=1S/C12H13N3O/c1-7-9(12(14)16)6-11(15-7)8-4-2-3-5-10(8)13/h2-6,15H,13H2,1H3,(H2,14,16)
InChIKeyUBOQKPCXNYZXEW-UHFFFAOYSA-N
XLogP1.67
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide (CID 86299506) is 5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccccc2N)cc1C(N)=O.
What is the InChIKey of 5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is UBOQKPCXNYZXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-9(12(14)16)6-11(15-7)8-4-2-3-5-10(8)13/h2-6,15H,13H2,1H3,(H2,14,16).
What are the key properties of 5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 86299506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).