N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide

C12H9N5OS — CID 66633900

IUPACN-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccsc1)c1ncccc1-n1ccnn1
InChIInChI=1S/C12H9N5OS/c18-12(15-9-3-7-19-8-9)11-10(2-1-4-13-11)17-6-5-14-16-17/h1-8H,(H,15,18)
InChIKeyUKRDSBIMPXNVDQ-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.98
Rot. Bonds3

About N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide

N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide (PubChem CID 66633900) has the molecular formula C12H9N5OS and a molecular weight of 271.31 g/mol. Its IUPAC name is N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide
PubChem CID66633900
Molecular FormulaC12H9N5OS
Molecular Weight271.31 g/mol
Exact Mass271.05
IUPAC NameN-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccsc1)c1ncccc1-n1ccnn1
InChIInChI=1S/C12H9N5OS/c18-12(15-9-3-7-19-8-9)11-10(2-1-4-13-11)17-6-5-14-16-17/h1-8H,(H,15,18)
InChIKeyUKRDSBIMPXNVDQ-UHFFFAOYSA-N
XLogP1.98
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide (CID 66633900) is N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide is O=C(Nc1ccsc1)c1ncccc1-n1ccnn1.
What is the InChIKey of N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide?
The InChIKey is UKRDSBIMPXNVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS/c18-12(15-9-3-7-19-8-9)11-10(2-1-4-13-11)17-6-5-14-16-17/h1-8H,(H,15,18).
What are the key properties of N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide?
N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide has a molecular weight of 271.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 66633900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).