1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide

C21H32N6O2S — CID 55718713

IUPAC1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)NC(CCSC)c2nnc3ccccn23)CC1
InChIInChI=1S/C21H32N6O2S/c1-4-25(5-2)21(29)26-13-9-16(10-14-26)20(28)22-17(11-15-30-3)19-24-23-18-8-6-7-12-27(18)19/h6-8,12,16-17H,4-5,9-11,13-15H2,1-3H3,(H,22,28)
InChIKeyGIEBSKUSJACJJT-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.81
Rot. Bonds8

About 1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide

1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide (PubChem CID 55718713) has the molecular formula C21H32N6O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide
PubChem CID55718713
Molecular FormulaC21H32N6O2S
Molecular Weight432.59 g/mol
Exact Mass432.23
IUPAC Name1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)NC(CCSC)c2nnc3ccccn23)CC1
InChIInChI=1S/C21H32N6O2S/c1-4-25(5-2)21(29)26-13-9-16(10-14-26)20(28)22-17(11-15-30-3)19-24-23-18-8-6-7-12-27(18)19/h6-8,12,16-17H,4-5,9-11,13-15H2,1-3H3,(H,22,28)
InChIKeyGIEBSKUSJACJJT-UHFFFAOYSA-N
XLogP2.81
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-4-carboxamide
CID 23474207
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112829820
2,2,2-trichloro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474192
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenylacetamide
CID 42652598
3-methyl-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]but-2-enamide
CID 55535631
2-(4-aminophenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide;dihydrochloride
CID 119837153
2-(N-benzylanilino)-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 97064816
4-(methylamino)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 119837156
N-[2-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51285932
4-amino-3-methoxy-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide;dihydrochloride
CID 120594914
2-(1,3-dioxoisoindol-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 42650767
4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55683199

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide (CID 55718713) is 1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)NC(CCSC)c2nnc3ccccn23)CC1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide?
The InChIKey is GIEBSKUSJACJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2S/c1-4-25(5-2)21(29)26-13-9-16(10-14-26)20(28)22-17(11-15-30-3)19-24-23-18-8-6-7-12-27(18)19/h6-8,12,16-17H,4-5,9-11,13-15H2,1-3H3,(H,22,28).
What are the key properties of 1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide?
1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide has a molecular weight of 432.59 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55718713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).