N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide

C18H19N3OS — CID 60567233

IUPACN-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide
SMILESCSc1cc(C(=O)NCCCn2ccc3ccccc32)ccn1
InChIInChI=1S/C18H19N3OS/c1-23-17-13-15(7-10-19-17)18(22)20-9-4-11-21-12-8-14-5-2-3-6-16(14)21/h2-3,5-8,10,12-13H,4,9,11H2,1H3,(H,20,22)
InChIKeyUUGUINZYSIBRQJ-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.58
Rot. Bonds6

About N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide

N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide (PubChem CID 60567233) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide
PubChem CID60567233
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide
SMILESCSc1cc(C(=O)NCCCn2ccc3ccccc32)ccn1
InChIInChI=1S/C18H19N3OS/c1-23-17-13-15(7-10-19-17)18(22)20-9-4-11-21-12-8-14-5-2-3-6-16(14)21/h2-3,5-8,10,12-13H,4,9,11H2,1H3,(H,20,22)
InChIKeyUUGUINZYSIBRQJ-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192639
N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide
CID 51165309
6-(dimethylamino)-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide
CID 71942372
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 17495544
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide
CID 112768654

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide (CID 60567233) is N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide is CSc1cc(C(=O)NCCCn2ccc3ccccc32)ccn1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide?
The InChIKey is UUGUINZYSIBRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-23-17-13-15(7-10-19-17)18(22)20-9-4-11-21-12-8-14-5-2-3-6-16(14)21/h2-3,5-8,10,12-13H,4,9,11H2,1H3,(H,20,22).
What are the key properties of N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide?
N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide is sourced from PubChem (CID 60567233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).