2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide

C14H19N5O2S — CID 9373409

IUPAC2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSc1nnc2ccccn12
InChIInChI=1S/C14H19N5O2S/c1-3-7-15-12(20)9-18(2)13(21)10-22-14-17-16-11-6-4-5-8-19(11)14/h4-6,8H,3,7,9-10H2,1-2H3,(H,15,20)
InChIKeyHIHJQPKTCKINAL-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.81
Rot. Bonds7

About 2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide

2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide (PubChem CID 9373409) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide
PubChem CID9373409
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSc1nnc2ccccn12
InChIInChI=1S/C14H19N5O2S/c1-3-7-15-12(20)9-18(2)13(21)10-22-14-17-16-11-6-4-5-8-19(11)14/h4-6,8H,3,7,9-10H2,1-2H3,(H,15,20)
InChIKeyHIHJQPKTCKINAL-UHFFFAOYSA-N
XLogP0.81
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide
CID 9373420
N-benzyl-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7889037
ethyl 3-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoate
CID 60626192
N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 47096035
N-(2-phenylethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 4639061
N-[(2R)-pentan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2434105
N-(2-phenylsulfanylethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7628096
2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide
CID 8731400
N,N-bis(2-methylpropyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 44774984
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110
2-ethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 63099315
N-phenyl-N-propan-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558393

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide (CID 9373409) is 2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)C(=O)CSc1nnc2ccccn12.
What is the InChIKey of 2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide?
The InChIKey is HIHJQPKTCKINAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-3-7-15-12(20)9-18(2)13(21)10-22-14-17-16-11-6-4-5-8-19(11)14/h4-6,8H,3,7,9-10H2,1-2H3,(H,15,20).
What are the key properties of 2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide?
2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide has a molecular weight of 321.41 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 9373409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).