N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide

C19H19N3O2S — CID 91815756

IUPACN-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESO=C(NCc1c[nH]c2ccccc12)c1cccnc1OC1CCSC1
InChIInChI=1S/C19H19N3O2S/c23-18(22-11-13-10-21-17-6-2-1-4-15(13)17)16-5-3-8-20-19(16)24-14-7-9-25-12-14/h1-6,8,10,14,21H,7,9,11-12H2,(H,22,23)
InChIKeyZJGFEIGRXHRQCU-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.38
Rot. Bonds5

About N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide

N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide (PubChem CID 91815756) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
PubChem CID91815756
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESO=C(NCc1c[nH]c2ccccc12)c1cccnc1OC1CCSC1
InChIInChI=1S/C19H19N3O2S/c23-18(22-11-13-10-21-17-6-2-1-4-15(13)17)16-5-3-8-20-19(16)24-14-7-9-25-12-14/h1-6,8,10,14,21H,7,9,11-12H2,(H,22,23)
InChIKeyZJGFEIGRXHRQCU-UHFFFAOYSA-N
XLogP3.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759309
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124841947
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815769
N-(3-hydroxypropyl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124864290
N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734079
N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759918
N-(1H-indol-3-ylmethyl)pyridine-2-carboxamide
CID 110673234
N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124844112
N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
CID 31800805
N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124860655
N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815768
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
CID 134794214

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The IUPAC name of N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide (CID 91815756) is N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide is O=C(NCc1c[nH]c2ccccc12)c1cccnc1OC1CCSC1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The InChIKey is ZJGFEIGRXHRQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-18(22-11-13-10-21-17-6-2-1-4-15(13)17)16-5-3-8-20-19(16)24-14-7-9-25-12-14/h1-6,8,10,14,21H,7,9,11-12H2,(H,22,23).
What are the key properties of N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 91815756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).