2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide

C21H26N2O2S — CID 55919507

IUPAC2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2cccnc2SC2CCCC2)cc1
InChIInChI=1S/C21H26N2O2S/c1-25-17-12-10-16(11-13-17)6-4-14-22-20(24)19-9-5-15-23-21(19)26-18-7-2-3-8-18/h5,9-13,15,18H,2-4,6-8,14H2,1H3,(H,22,24)
InChIKeyPJGGCGUBLHJSPE-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.49
Rot. Bonds8

About 2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide (PubChem CID 55919507) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
PubChem CID55919507
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2cccnc2SC2CCCC2)cc1
InChIInChI=1S/C21H26N2O2S/c1-25-17-12-10-16(11-13-17)6-4-14-22-20(24)19-9-5-15-23-21(19)26-18-7-2-3-8-18/h5,9-13,15,18H,2-4,6-8,14H2,1H3,(H,22,24)
InChIKeyPJGGCGUBLHJSPE-UHFFFAOYSA-N
XLogP4.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.49
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

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 24512592
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[3-(4-methoxyphenyl)propylsulfanyl]pyridine-3-carboxamide
CID 46909518
N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11846729
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 42224724
N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 84534524
2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide
CID 55873414
2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 56518163
1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
CID 60547411
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 71782026
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55977297
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104740841

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide (CID 55919507) is 2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide is COc1ccc(CCCNC(=O)c2cccnc2SC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The InChIKey is PJGGCGUBLHJSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-25-17-12-10-16(11-13-17)6-4-14-22-20(24)19-9-5-15-23-21(19)26-18-7-2-3-8-18/h5,9-13,15,18H,2-4,6-8,14H2,1H3,(H,22,24).
What are the key properties of 2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 55919507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).