N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide

C15H22N2OS — CID 142230892

IUPACN-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide
SMILESCCSc1ncccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H22N2OS/c1-2-19-15-13(9-6-10-16-15)14(18)17-11-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,17,18)
InChIKeyXADLEGAWAQCHER-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.50
Rot. Bonds5

About N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide

N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide (PubChem CID 142230892) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide
PubChem CID142230892
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide
SMILESCCSc1ncccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H22N2OS/c1-2-19-15-13(9-6-10-16-15)14(18)17-11-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,17,18)
InChIKeyXADLEGAWAQCHER-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(benzenesulfonyl)ethylsulfanyl]-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 25221518
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
2-(cyclohexylmethylsulfanyl)-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433504
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 25221972
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572727
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
N-(cycloheptylmethyl)-2-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
CID 46909116
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 51099499

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide (CID 142230892) is N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide is CCSc1ncccc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide?
The InChIKey is XADLEGAWAQCHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-19-15-13(9-6-10-16-15)14(18)17-11-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,17,18).
What are the key properties of N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide?
N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-ethylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 142230892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).