2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide

C17H25N5OS — CID 71869921

IUPAC2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(c2nnc3ccccn23)C(C)C)CC(C)S1
InChIInChI=1S/C17H25N5OS/c1-11(2)15(16-20-19-14-7-5-6-8-22(14)16)18-17(23)21-9-12(3)24-13(4)10-21/h5-8,11-13,15H,9-10H2,1-4H3,(H,18,23)
InChIKeyTYTURKMOOXAYFR-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.96
Rot. Bonds3

About 2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide

2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide (PubChem CID 71869921) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide
PubChem CID71869921
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(c2nnc3ccccn23)C(C)C)CC(C)S1
InChIInChI=1S/C17H25N5OS/c1-11(2)15(16-20-19-14-7-5-6-8-22(14)16)18-17(23)21-9-12(3)24-13(4)10-21/h5-8,11-13,15H,9-10H2,1-4H3,(H,18,23)
InChIKeyTYTURKMOOXAYFR-UHFFFAOYSA-N
XLogP2.96
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide with MolForge

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Related Compounds

3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-1-carboxamide
CID 111443965
3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide
CID 110922342
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide
CID 29140560
3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 127655986
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 110922336
3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 23474062
(E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide
CID 23474073
7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 71847322
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60940994
2-(2-methoxyethoxy)-N-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 52860674
1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154279

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide (CID 71869921) is 2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide is CC1CN(C(=O)NC(c2nnc3ccccn23)C(C)C)CC(C)S1.
What is the InChIKey of 2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide?
The InChIKey is TYTURKMOOXAYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-11(2)15(16-20-19-14-7-5-6-8-22(14)16)18-17(23)21-9-12(3)24-13(4)10-21/h5-8,11-13,15H,9-10H2,1-4H3,(H,18,23).
What are the key properties of 2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide?
2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 71869921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).