5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide

C14H11N3OS — CID 24809730

IUPAC5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccsc1
InChIInChI=1S/C14H11N3OS/c15-14(18)11-7-12(9-1-4-16-5-2-9)17-13(11)10-3-6-19-8-10/h1-8,17H,(H2,15,18)
InChIKeyQUCXFZADHBEISC-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.90
Rot. Bonds3

About 5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide

5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide (PubChem CID 24809730) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide
PubChem CID24809730
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccsc1
InChIInChI=1S/C14H11N3OS/c15-14(18)11-7-12(9-1-4-16-5-2-9)17-13(11)10-3-6-19-8-10/h1-8,17H,(H2,15,18)
InChIKeyQUCXFZADHBEISC-UHFFFAOYSA-N
XLogP2.90
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide (CID 24809730) is 5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccsc1.
What is the InChIKey of 5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide?
The InChIKey is QUCXFZADHBEISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-14(18)11-7-12(9-1-4-16-5-2-9)17-13(11)10-3-6-19-8-10/h1-8,17H,(H2,15,18).
What are the key properties of 5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide?
5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).