N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide

C18H27N5O2S — CID 86814516

IUPACN-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide
SMILESCSCCC(NC(=O)COCC1CCCNC1)c1nnc2ccccn12
InChIInChI=1S/C18H27N5O2S/c1-26-10-7-15(18-22-21-16-6-2-3-9-23(16)18)20-17(24)13-25-12-14-5-4-8-19-11-14/h2-3,6,9,14-15,19H,4-5,7-8,10-13H2,1H3,(H,20,24)
InChIKeyPDWHGZWSSWLHJQ-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.66
Rot. Bonds9

About N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide

N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide (PubChem CID 86814516) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide
PubChem CID86814516
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide
SMILESCSCCC(NC(=O)COCC1CCCNC1)c1nnc2ccccn12
InChIInChI=1S/C18H27N5O2S/c1-26-10-7-15(18-22-21-16-6-2-3-9-23(16)18)20-17(24)13-25-12-14-5-4-8-19-11-14/h2-3,6,9,14-15,19H,4-5,7-8,10-13H2,1H3,(H,20,24)
InChIKeyPDWHGZWSSWLHJQ-UHFFFAOYSA-N
XLogP1.66
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-[[(3S)-piperidin-3-yl]methoxy]acetamide
CID 99780824
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-[[(3R)-piperidin-3-yl]methoxy]acetamide
CID 99780822
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride
CID 86814515
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
2-(2-ethylphenoxy)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 55458850
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51268673
N-[2-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51285932
4-(methylamino)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 119837156
4-amino-3-methoxy-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide;dihydrochloride
CID 120594914
2-(4-aminophenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide;dihydrochloride
CID 119837153
2-(1,3-dioxoisoindol-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 42650767

Frequently Asked Questions

What is the IUPAC name of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide?
The IUPAC name of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide (CID 86814516) is N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide.
What is the SMILES notation for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide?
The canonical SMILES for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide is CSCCC(NC(=O)COCC1CCCNC1)c1nnc2ccccn12.
What is the InChIKey of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide?
The InChIKey is PDWHGZWSSWLHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-26-10-7-15(18-22-21-16-6-2-3-9-23(16)18)20-17(24)13-25-12-14-5-4-8-19-11-14/h2-3,6,9,14-15,19H,4-5,7-8,10-13H2,1H3,(H,20,24).
What are the key properties of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide?
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide has a molecular weight of 377.51 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide is sourced from PubChem (CID 86814516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).