1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide

C11H11N3O — CID 86274747

IUPAC1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(N)=O
InChIInChI=1S/C11H11N3O/c1-14-7-9(6-10(14)11(12)15)8-2-4-13-5-3-8/h2-7H,1H3,(H2,12,15)
InChIKeySTHMQNHNPQEJEN-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.19
Rot. Bonds2

About 1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide

1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 86274747) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID86274747
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(N)=O
InChIInChI=1S/C11H11N3O/c1-14-7-9(6-10(14)11(12)15)8-2-4-13-5-3-8/h2-7H,1H3,(H2,12,15)
InChIKeySTHMQNHNPQEJEN-UHFFFAOYSA-N
XLogP1.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (CID 86274747) is 1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is Cn1cc(-c2ccncc2)cc1C(N)=O.
What is the InChIKey of 1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is STHMQNHNPQEJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14-7-9(6-10(14)11(12)15)8-2-4-13-5-3-8/h2-7H,1H3,(H2,12,15).
What are the key properties of 1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 86274747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).