3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

C14H13N5OS — CID 39997425

IUPAC3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESO=C(CCc1cccs1)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H13N5OS/c20-14(6-4-12-2-1-7-21-12)18-11-3-5-13(16-8-11)19-10-15-9-17-19/h1-3,5,7-10H,4,6H2,(H,18,20)
InChIKeyVZIDNQPCUOKGLF-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.30
Rot. Bonds5

About 3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (PubChem CID 39997425) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
PubChem CID39997425
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESO=C(CCc1cccs1)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H13N5OS/c20-14(6-4-12-2-1-7-21-12)18-11-3-5-13(16-8-11)19-10-15-9-17-19/h1-3,5,7-10H,4,6H2,(H,18,20)
InChIKeyVZIDNQPCUOKGLF-UHFFFAOYSA-N
XLogP2.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (CID 39997425) is 3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is O=C(CCc1cccs1)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The InChIKey is VZIDNQPCUOKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c20-14(6-4-12-2-1-7-21-12)18-11-3-5-13(16-8-11)19-10-15-9-17-19/h1-3,5,7-10H,4,6H2,(H,18,20).
What are the key properties of 3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide has a molecular weight of 299.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 39997425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).