1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide

C17H15N3O — CID 86274748

IUPAC1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)cn1Cc1ccccc1
InChIInChI=1S/C17H15N3O/c18-17(21)16-10-15(14-6-8-19-9-7-14)12-20(16)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,18,21)
InChIKeyWSHKCQGPOQBZJI-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.70
Rot. Bonds4

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

1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 86274748) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID86274748
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)cn1Cc1ccccc1
InChIInChI=1S/C17H15N3O/c18-17(21)16-10-15(14-6-8-19-9-7-14)12-20(16)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,18,21)
InChIKeyWSHKCQGPOQBZJI-UHFFFAOYSA-N
XLogP2.70
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide (CID 86274748) is 1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide is NC(=O)c1cc(-c2ccncc2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is WSHKCQGPOQBZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-17(21)16-10-15(14-6-8-19-9-7-14)12-20(16)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,18,21).
What are the key properties of 1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide?
1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 86274748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).