4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide

C17H17N3O — CID 3812558

IUPAC4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(C#N)cc2)c(C)n1C1CC1
InChIInChI=1S/C17H17N3O/c1-10-15(13-5-3-12(9-18)4-6-13)16(17(19)21)11(2)20(10)14-7-8-14/h3-6,14H,7-8H2,1-2H3,(H2,19,21)
InChIKeyKWRVYAYNSFPGCG-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.08
Rot. Bonds3

About 4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide

4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 3812558) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID3812558
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(C#N)cc2)c(C)n1C1CC1
InChIInChI=1S/C17H17N3O/c1-10-15(13-5-3-12(9-18)4-6-13)16(17(19)21)11(2)20(10)14-7-8-14/h3-6,14H,7-8H2,1-2H3,(H2,19,21)
InChIKeyKWRVYAYNSFPGCG-UHFFFAOYSA-N
XLogP3.08
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide (CID 3812558) is 4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide is Cc1c(C(N)=O)c(-c2ccc(C#N)cc2)c(C)n1C1CC1.
What is the InChIKey of 4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is KWRVYAYNSFPGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-10-15(13-5-3-12(9-18)4-6-13)16(17(19)21)11(2)20(10)14-7-8-14/h3-6,14H,7-8H2,1-2H3,(H2,19,21).
What are the key properties of 4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 3812558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).