N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide

C17H20N2O2S — CID 44760287

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C17H20N2O2S/c1-2-12-22-17-15(4-3-10-19-17)16(21)18-11-9-13-5-7-14(20)8-6-13/h3-8,10,20H,2,9,11-12H2,1H3,(H,18,21)
InChIKeyUSBXSLCQAKCXGL-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.26
Rot. Bonds7

About N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 44760287) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide
PubChem CID44760287
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C17H20N2O2S/c1-2-12-22-17-15(4-3-10-19-17)16(21)18-11-9-13-5-7-14(20)8-6-13/h3-8,10,20H,2,9,11-12H2,1H3,(H,18,21)
InChIKeyUSBXSLCQAKCXGL-UHFFFAOYSA-N
XLogP3.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide (CID 44760287) is N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide is CCCSc1ncccc1C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is USBXSLCQAKCXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-12-22-17-15(4-3-10-19-17)16(21)18-11-9-13-5-7-14(20)8-6-13/h3-8,10,20H,2,9,11-12H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 44760287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).