N-hexyl-2-phenylsulfanylpyridine-3-carboxamide

C18H22N2OS — CID 32647200

IUPACN-hexyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C18H22N2OS/c1-2-3-4-8-13-19-17(21)16-12-9-14-20-18(16)22-15-10-6-5-7-11-15/h5-7,9-12,14H,2-4,8,13H2,1H3,(H,19,21)
InChIKeyLFNXVEVWSHAJDM-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.54
Rot. Bonds8

About N-hexyl-2-phenylsulfanylpyridine-3-carboxamide

N-hexyl-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 32647200) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-hexyl-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID32647200
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-hexyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C18H22N2OS/c1-2-3-4-8-13-19-17(21)16-12-9-14-20-18(16)22-15-10-6-5-7-11-15/h5-7,9-12,14H,2-4,8,13H2,1H3,(H,19,21)
InChIKeyLFNXVEVWSHAJDM-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-(4-bromophenyl)sulfanyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 78854403
2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide
CID 18285449
N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 46399858
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
N-(4-hydroxy-2-methylpentyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111447058
N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153619
N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 78856709
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-hexyl-2-phenylsulfanylpyridine-3-carboxamide (CID 32647200) is N-hexyl-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-hexyl-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-hexyl-2-phenylsulfanylpyridine-3-carboxamide is CCCCCCNC(=O)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-hexyl-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is LFNXVEVWSHAJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-3-4-8-13-19-17(21)16-12-9-14-20-18(16)22-15-10-6-5-7-11-15/h5-7,9-12,14H,2-4,8,13H2,1H3,(H,19,21).
What are the key properties of N-hexyl-2-phenylsulfanylpyridine-3-carboxamide?
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 32647200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).