N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide

C21H30N2O2S — CID 71563278

IUPACN-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)csc21
InChIInChI=1S/C21H30N2O2S/c1-3-4-9-12-23-13-17(19(24)18-15(2)14-26-21(18)23)20(25)22-16-10-7-5-6-8-11-16/h13-14,16H,3-12H2,1-2H3,(H,22,25)
InChIKeyOZBJFLMZWUDPCT-UHFFFAOYSA-N
MW374.55 g/mol
LogP5.01
Rot. Bonds6

About N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide

N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide (PubChem CID 71563278) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide
PubChem CID71563278
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC NameN-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)csc21
InChIInChI=1S/C21H30N2O2S/c1-3-4-9-12-23-13-17(19(24)18-15(2)14-26-21(18)23)20(25)22-16-10-7-5-6-8-11-16/h13-14,16H,3-12H2,1-2H3,(H,22,25)
InChIKeyOZBJFLMZWUDPCT-UHFFFAOYSA-N
XLogP5.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide (CID 71563278) is N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)csc21.
What is the InChIKey of N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is OZBJFLMZWUDPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2S/c1-3-4-9-12-23-13-17(19(24)18-15(2)14-26-21(18)23)20(25)22-16-10-7-5-6-8-11-16/h13-14,16H,3-12H2,1-2H3,(H,22,25).
What are the key properties of N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide?
N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 374.55 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 71563278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).