N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide

C13H14N2O2S — CID 91815769

IUPACN-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESC#CCNC(=O)c1cccnc1OC1CCSC1
InChIInChI=1S/C13H14N2O2S/c1-2-6-14-12(16)11-4-3-7-15-13(11)17-10-5-8-18-9-10/h1,3-4,7,10H,5-6,8-9H2,(H,14,16)
InChIKeyHQGYMRFIBUDJCW-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.33
Rot. Bonds4

About N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide

N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide (PubChem CID 91815769) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
PubChem CID91815769
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESC#CCNC(=O)c1cccnc1OC1CCSC1
InChIInChI=1S/C13H14N2O2S/c1-2-6-14-12(16)11-4-3-7-15-13(11)17-10-5-8-18-9-10/h1,3-4,7,10H,5-6,8-9H2,(H,14,16)
InChIKeyHQGYMRFIBUDJCW-UHFFFAOYSA-N
XLogP1.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124864290
tert-butyl N-[3-[[2-(thiolan-3-yloxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815760
N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759309
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-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815696
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-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759918
N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815768
N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124844112
N-(2-phenylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736250

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The IUPAC name of N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide (CID 91815769) is N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The canonical SMILES for N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide is C#CCNC(=O)c1cccnc1OC1CCSC1.
What is the InChIKey of N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The InChIKey is HQGYMRFIBUDJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-6-14-12(16)11-4-3-7-15-13(11)17-10-5-8-18-9-10/h1,3-4,7,10H,5-6,8-9H2,(H,14,16).
What are the key properties of N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 91815769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).