N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide

C14H20N2OS — CID 2505911

IUPACN-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C14H20N2OS/c1-18-14-12(9-6-10-15-14)13(17)16-11-7-4-2-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyXGMYAATYIYILLH-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.26
Rot. Bonds3

About N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide

N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2505911) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2505911
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C14H20N2OS/c1-18-14-12(9-6-10-15-14)13(17)16-11-7-4-2-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyXGMYAATYIYILLH-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide (CID 2505911) is N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is XGMYAATYIYILLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-14-12(9-6-10-15-14)13(17)16-11-7-4-2-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3,(H,16,17).
What are the key properties of N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide?
N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2505911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).