4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide

C11H11N3O — CID 86275227

IUPAC4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(-c2c[nH]c(C(N)=O)c2)ccn1
InChIInChI=1S/C11H11N3O/c1-7-4-8(2-3-13-7)9-5-10(11(12)15)14-6-9/h2-6,14H,1H3,(H2,12,15)
InChIKeyLBTIZDWNNJGFHX-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.48
Rot. Bonds2

About 4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide

4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 86275227) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID86275227
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(-c2c[nH]c(C(N)=O)c2)ccn1
InChIInChI=1S/C11H11N3O/c1-7-4-8(2-3-13-7)9-5-10(11(12)15)14-6-9/h2-6,14H,1H3,(H2,12,15)
InChIKeyLBTIZDWNNJGFHX-UHFFFAOYSA-N
XLogP1.48
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide (CID 86275227) is 4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide is Cc1cc(-c2c[nH]c(C(N)=O)c2)ccn1.
What is the InChIKey of 4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is LBTIZDWNNJGFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-4-8(2-3-13-7)9-5-10(11(12)15)14-6-9/h2-6,14H,1H3,(H2,12,15).
What are the key properties of 4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 86275227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).