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

C12H13N3O — CID 86275229

IUPAC3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(-c2c[nH]c(C(N)=O)c2C)ccn1
InChIInChI=1S/C12H13N3O/c1-7-5-9(3-4-14-7)10-6-15-11(8(10)2)12(13)16/h3-6,15H,1-2H3,(H2,13,16)
InChIKeyGBEUJGXZRJILPH-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.79
Rot. Bonds2

About 3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide

3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 86275229) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID86275229
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(-c2c[nH]c(C(N)=O)c2C)ccn1
InChIInChI=1S/C12H13N3O/c1-7-5-9(3-4-14-7)10-6-15-11(8(10)2)12(13)16/h3-6,15H,1-2H3,(H2,13,16)
InChIKeyGBEUJGXZRJILPH-UHFFFAOYSA-N
XLogP1.79
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide (CID 86275229) is 3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide is Cc1cc(-c2c[nH]c(C(N)=O)c2C)ccn1.
What is the InChIKey of 3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is GBEUJGXZRJILPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-5-9(3-4-14-7)10-6-15-11(8(10)2)12(13)16/h3-6,15H,1-2H3,(H2,13,16).
What are the key properties of 3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 86275229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).