1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C21H26N8O2S — CID 55700721

IUPAC1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCSc1nc2nc(C)c(CC(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)c(C)n2n1
InChIInChI=1S/C21H26N8O2S/c1-12-16(13(2)29-20(24-12)26-21(27-29)32-3)9-18(30)25-15-6-7-17(23-10-15)28-8-4-5-14(11-28)19(22)31/h6-7,10,14H,4-5,8-9,11H2,1-3H3,(H2,22,31)(H,25,30)
InChIKeyOHXLMJPWEFDPRK-UHFFFAOYSA-N
MW454.56 g/mol
LogP1.74
Rot. Bonds6

About 1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55700721) has the molecular formula C21H26N8O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is 1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55700721
Molecular FormulaC21H26N8O2S
Molecular Weight454.56 g/mol
Exact Mass454.19
IUPAC Name1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCSc1nc2nc(C)c(CC(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)c(C)n2n1
InChIInChI=1S/C21H26N8O2S/c1-12-16(13(2)29-20(24-12)26-21(27-29)32-3)9-18(30)25-15-6-7-17(23-10-15)28-8-4-5-14(11-28)19(22)31/h6-7,10,14H,4-5,8-9,11H2,1-3H3,(H2,22,31)(H,25,30)
InChIKeyOHXLMJPWEFDPRK-UHFFFAOYSA-N
XLogP1.74
TPSA131.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide
CID 43071065
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 9043043
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 87046204
1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970455
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 55654646
1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700880
ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55970967
1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701063
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971095
1-[5-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700900

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55700721) is 1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is CSc1nc2nc(C)c(CC(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)c(C)n2n1.
What is the InChIKey of 1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is OHXLMJPWEFDPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2S/c1-12-16(13(2)29-20(24-12)26-21(27-29)32-3)9-18(30)25-15-6-7-17(23-10-15)28-8-4-5-14(11-28)19(22)31/h6-7,10,14H,4-5,8-9,11H2,1-3H3,(H2,22,31)(H,25,30).
What are the key properties of 1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 454.56 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55700721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).