N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

C20H21N3O2S — CID 124759918

IUPACN-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(NCCn1ccc2ccccc21)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C20H21N3O2S/c24-19(17-5-3-9-22-20(17)25-16-8-13-26-14-16)21-10-12-23-11-7-15-4-1-2-6-18(15)23/h1-7,9,11,16H,8,10,12-14H2,(H,21,24)/t16-/m1/s1
InChIKeyIKNVZTIQGGUWFI-MRXNPFEDSA-N
MW367.47 g/mol
LogP3.35
Rot. Bonds6

About N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 124759918) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
PubChem CID124759918
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(NCCn1ccc2ccccc21)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C20H21N3O2S/c24-19(17-5-3-9-22-20(17)25-16-8-13-26-14-16)21-10-12-23-11-7-15-4-1-2-6-18(15)23/h1-7,9,11,16H,8,10,12-14H2,(H,21,24)/t16-/m1/s1
InChIKeyIKNVZTIQGGUWFI-MRXNPFEDSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815696
N-(3-hydroxypropyl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124864290
N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759309
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815769
tert-butyl N-[3-[[2-(thiolan-3-yloxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815760
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124848421
2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
CID 124680761
N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815756
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124841947
N-(2-phenylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736250
N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100735758
N-(2-indol-1-ylethyl)-2-iodobenzamide
CID 3247556

Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (CID 124759918) is N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is O=C(NCCn1ccc2ccccc21)c1cccnc1O[C@@H]1CCSC1.
What is the InChIKey of N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is IKNVZTIQGGUWFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-19(17-5-3-9-22-20(17)25-16-8-13-26-14-16)21-10-12-23-11-7-15-4-1-2-6-18(15)23/h1-7,9,11,16H,8,10,12-14H2,(H,21,24)/t16-/m1/s1.
What are the key properties of N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 124759918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).