4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide

C16H13N3OS — CID 46229985

IUPAC4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3cccs3)cnc2N)cc1
InChIInChI=1S/C16H13N3OS/c17-15-13(10-3-5-11(6-4-10)16(18)20)8-12(9-19-15)14-2-1-7-21-14/h1-9H,(H2,17,19)(H2,18,20)
InChIKeyGDXHCLHAOZPUHD-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.16
Rot. Bonds3

About 4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide

4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide (PubChem CID 46229985) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide
PubChem CID46229985
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3cccs3)cnc2N)cc1
InChIInChI=1S/C16H13N3OS/c17-15-13(10-3-5-11(6-4-10)16(18)20)8-12(9-19-15)14-2-1-7-21-14/h1-9H,(H2,17,19)(H2,18,20)
InChIKeyGDXHCLHAOZPUHD-UHFFFAOYSA-N
XLogP3.16
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide (CID 46229985) is 4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide is NC(=O)c1ccc(-c2cc(-c3cccs3)cnc2N)cc1.
What is the InChIKey of 4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide?
The InChIKey is GDXHCLHAOZPUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-15-13(10-3-5-11(6-4-10)16(18)20)8-12(9-19-15)14-2-1-7-21-14/h1-9H,(H2,17,19)(H2,18,20).
What are the key properties of 4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide?
4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide has a molecular weight of 295.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-thiophen-2-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 46229985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).