N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide

C15H22N2OS — CID 15016062

IUPACN-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2OS/c1-2-11-19-15-13(9-6-10-16-15)14(18)17-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,17,18)
InChIKeyDGJDGJQCZWAUMC-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.65
Rot. Bonds5

About N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide

N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 15016062) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide
PubChem CID15016062
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2OS/c1-2-11-19-15-13(9-6-10-16-15)14(18)17-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,17,18)
InChIKeyDGJDGJQCZWAUMC-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide (CID 15016062) is N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide is CCCSc1ncccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is DGJDGJQCZWAUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-11-19-15-13(9-6-10-16-15)14(18)17-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide?
N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 15016062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).