4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide

C16H20N2OS — CID 134178919

IUPAC4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(C3CCCCCCC3)cncc2s1
InChIInChI=1S/C16H20N2OS/c17-16(19)14-8-12-13(9-18-10-15(12)20-14)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H2,17,19)
InChIKeyZTOWEAKAVRKDHV-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.22
Rot. Bonds2

About 4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide

4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 134178919) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID134178919
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(C3CCCCCCC3)cncc2s1
InChIInChI=1S/C16H20N2OS/c17-16(19)14-8-12-13(9-18-10-15(12)20-14)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H2,17,19)
InChIKeyZTOWEAKAVRKDHV-UHFFFAOYSA-N
XLogP4.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide (CID 134178919) is 4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(C3CCCCCCC3)cncc2s1.
What is the InChIKey of 4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is ZTOWEAKAVRKDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c17-16(19)14-8-12-13(9-18-10-15(12)20-14)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H2,17,19).
What are the key properties of 4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide?
4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooctylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 134178919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).