3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide

C13H18ClN3OS — CID 103064677

IUPAC3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NC2CCSC2)n1
InChIInChI=1S/C13H18ClN3OS/c1-2-6-15-11-4-3-10(14)12(17-11)13(18)16-9-5-7-19-8-9/h3-4,9H,2,5-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyIJJMIICZIOHMJV-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.79
Rot. Bonds5

About 3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide

3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide (PubChem CID 103064677) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide
PubChem CID103064677
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NC2CCSC2)n1
InChIInChI=1S/C13H18ClN3OS/c1-2-6-15-11-4-3-10(14)12(17-11)13(18)16-9-5-7-19-8-9/h3-4,9H,2,5-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyIJJMIICZIOHMJV-UHFFFAOYSA-N
XLogP2.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-chloro-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064660
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
2-ethyl-6-(propylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064734
3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
CID 62171311
3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 62168552
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038
3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457
[3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 62165385
3-chloro-N-cyclobutyl-6-(methylamino)pyridine-2-carboxamide
CID 62415036
3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914367
3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62167329
3-chloro-N-(2-cyclopentylethyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62181281

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide (CID 103064677) is 3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)NC2CCSC2)n1.
What is the InChIKey of 3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide?
The InChIKey is IJJMIICZIOHMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-2-6-15-11-4-3-10(14)12(17-11)13(18)16-9-5-7-19-8-9/h3-4,9H,2,5-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide?
3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide has a molecular weight of 299.83 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 103064677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).