4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide

C15H16N2O2S — CID 70209128

IUPAC4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(COC3C=CCCC3)cncc2s1
InChIInChI=1S/C15H16N2O2S/c16-15(18)13-6-12-10(7-17-8-14(12)20-13)9-19-11-4-2-1-3-5-11/h2,4,6-8,11H,1,3,5,9H2,(H2,16,18)
InChIKeyRKZOIVOHPFQOIQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.02
Rot. Bonds4

About 4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide

4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 70209128) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID70209128
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(COC3C=CCCC3)cncc2s1
InChIInChI=1S/C15H16N2O2S/c16-15(18)13-6-12-10(7-17-8-14(12)20-13)9-19-11-4-2-1-3-5-11/h2,4,6-8,11H,1,3,5,9H2,(H2,16,18)
InChIKeyRKZOIVOHPFQOIQ-UHFFFAOYSA-N
XLogP3.02
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide (CID 70209128) is 4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(COC3C=CCCC3)cncc2s1.
What is the InChIKey of 4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is RKZOIVOHPFQOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-15(18)13-6-12-10(7-17-8-14(12)20-13)9-19-11-4-2-1-3-5-11/h2,4,6-8,11H,1,3,5,9H2,(H2,16,18).
What are the key properties of 4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide?
4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-2-en-1-yloxymethyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 70209128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).