N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide

C19H30N2OS — CID 44760772

IUPACN-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H30N2OS/c1-5-13-23-18-16(7-6-12-20-18)17(22)21-15-10-8-14(9-11-15)19(2,3)4/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,21,22)
InChIKeyKKQRTGLMYMPYTF-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.92
Rot. Bonds5

About N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide

N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 44760772) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide
PubChem CID44760772
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC NameN-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H30N2OS/c1-5-13-23-18-16(7-6-12-20-18)17(22)21-15-10-8-14(9-11-15)19(2,3)4/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,21,22)
InChIKeyKKQRTGLMYMPYTF-UHFFFAOYSA-N
XLogP4.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide
CID 15994001
2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid
CID 62625755
2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 47100478
2-[2-(3-carbamoylphenyl)ethylsulfanyl]-N-cyclohexylpyridine-3-carboxamide
CID 24965323
3-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]propanoic acid
CID 24946976
2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 55514779
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl]-2-methylpropanoic acid
CID 24947351
2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 44775847
2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide
CID 114037667

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide (CID 44760772) is N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide is CCCSc1ncccc1C(=O)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is KKQRTGLMYMPYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-5-13-23-18-16(7-6-12-20-18)17(22)21-15-10-8-14(9-11-15)19(2,3)4/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,21,22).
What are the key properties of N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide?
N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 334.53 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 44760772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).