N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide

C19H25ClN2OS — CID 59830614

IUPACN-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(Cl)ccc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25ClN2OS/c1-2-5-24-19-15(3-4-16(20)21-19)18(23)22-17-13-7-11-6-12(9-13)10-14(17)8-11/h3-4,11-14,17H,2,5-10H2,1H3,(H,22,23)
InChIKeyPESKGEOUWAENDO-UHFFFAOYSA-N
MW364.94 g/mol
LogP4.79
Rot. Bonds5

About N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide

N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 59830614) has the molecular formula C19H25ClN2OS and a molecular weight of 364.94 g/mol. Its IUPAC name is N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide
PubChem CID59830614
Molecular FormulaC19H25ClN2OS
Molecular Weight364.94 g/mol
Exact Mass364.14
IUPAC NameN-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(Cl)ccc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25ClN2OS/c1-2-5-24-19-15(3-4-16(20)21-19)18(23)22-17-13-7-11-6-12(9-13)10-14(17)8-11/h3-4,11-14,17H,2,5-10H2,1H3,(H,22,23)
InChIKeyPESKGEOUWAENDO-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-adamantyl)-6-chloro-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

2-(allylthio)-N-[2-(4-chlorophenyl)ethyl]nicotinamide
CID 15995454
N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide
CID 3362513
2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide
CID 4845021
N-Adamantan-2-yl-2-chloro-nicotinamide
CID 1085978
2-[2-(benzylamino)-2-oxoethyl]sulfanyl-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 3650333
2-{[(2-Chlorophenyl)methyl]sulfanyl}-N-[2-(cyclohex-1-EN-1-YL)ethyl]pyridine-3-carboxamide
CID 3661750
2-[(2-chlorophenyl)methylsulfanyl]-N-propan-2-ylpyridine-3-carboxamide
CID 4208204
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 4444104
N-butyl-2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 6617081
2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpyridine-3-carboxamide
CID 16003098
2-(4-chlorophenyl)sulfanyl-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]pyridine-3-carboxamide
CID 11591379
2-(4-chlorophenyl)sulfanyl-N-[4-(dimethylamino)-4-[(4-fluorophenyl)methyl]cyclohexyl]pyridine-3-carboxamide
CID 11605699

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide (CID 59830614) is N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide is CCCSc1nc(Cl)ccc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is PESKGEOUWAENDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2OS/c1-2-5-24-19-15(3-4-16(20)21-19)18(23)22-17-13-7-11-6-12(9-13)10-14(17)8-11/h3-4,11-14,17H,2,5-10H2,1H3,(H,22,23).
What are the key properties of N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide?
N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 364.94 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-chloro-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 59830614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).