2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide

C23H19N3OS — CID 18285449

IUPAC2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccc2cccnc12)c1cccnc1Sc1ccccc1
InChIInChI=1S/C23H19N3OS/c27-22(20-12-6-15-26-23(20)28-19-10-2-1-3-11-19)25-16-13-18-8-4-7-17-9-5-14-24-21(17)18/h1-12,14-15H,13,16H2,(H,25,27)
InChIKeyRATOJLHCXFGGQJ-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.75
Rot. Bonds6

About 2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide

2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide (PubChem CID 18285449) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide
PubChem CID18285449
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccc2cccnc12)c1cccnc1Sc1ccccc1
InChIInChI=1S/C23H19N3OS/c27-22(20-12-6-15-26-23(20)28-19-10-2-1-3-11-19)25-16-13-18-8-4-7-17-9-5-14-24-21(17)18/h1-12,14-15H,13,16H2,(H,25,27)
InChIKeyRATOJLHCXFGGQJ-UHFFFAOYSA-N
XLogP4.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide
CID 18149345
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 32647200
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918
(2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide
CID 40798749
N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 46399858
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 18144324
3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 36645347

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide (CID 18285449) is 2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide is O=C(NCCc1cccc2cccnc12)c1cccnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide?
The InChIKey is RATOJLHCXFGGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c27-22(20-12-6-15-26-23(20)28-19-10-2-1-3-11-19)25-16-13-18-8-4-7-17-9-5-14-24-21(17)18/h1-12,14-15H,13,16H2,(H,25,27).
What are the key properties of 2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide?
2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 18285449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).