N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C16H22N6O2S — CID 72883606

IUPACN-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCc1nc(SCCNC(=O)C(c2cccnc2)N2CCOCC2)n[nH]1
InChIInChI=1S/C16H22N6O2S/c1-12-19-16(21-20-12)25-10-5-18-15(23)14(13-3-2-4-17-11-13)22-6-8-24-9-7-22/h2-4,11,14H,5-10H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyAGSPSNFKMAGRFS-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.79
Rot. Bonds7

About N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 72883606) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID72883606
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC NameN-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCc1nc(SCCNC(=O)C(c2cccnc2)N2CCOCC2)n[nH]1
InChIInChI=1S/C16H22N6O2S/c1-12-19-16(21-20-12)25-10-5-18-15(23)14(13-3-2-4-17-11-13)22-6-8-24-9-7-22/h2-4,11,14H,5-10H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyAGSPSNFKMAGRFS-UHFFFAOYSA-N
XLogP0.79
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97188095
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N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72889150
(2R)-N-[2-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
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N-[2-(dimethylsulfamoyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 74234487
(2R)-N-[2-(2-methylindol-1-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97208959
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97125327
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72936879
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72855093
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97268430
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
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N-(2-ethylsulfanylphenyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131917262

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 72883606) is N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is Cc1nc(SCCNC(=O)C(c2cccnc2)N2CCOCC2)n[nH]1.
What is the InChIKey of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is AGSPSNFKMAGRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-12-19-16(21-20-12)25-10-5-18-15(23)14(13-3-2-4-17-11-13)22-6-8-24-9-7-22/h2-4,11,14H,5-10H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 362.46 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 72883606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).