N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

C15H16N4OS — CID 51141565

IUPACN-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESCC(C#N)(NC(=O)CSc1ncc2ccccn12)C1CC1
InChIInChI=1S/C15H16N4OS/c1-15(10-16,11-5-6-11)18-13(20)9-21-14-17-8-12-4-2-3-7-19(12)14/h2-4,7-8,11H,5-6,9H2,1H3,(H,18,20)
InChIKeyDYYWVRSVEVZCQY-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.23
Rot. Bonds5

About N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (PubChem CID 51141565) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
PubChem CID51141565
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESCC(C#N)(NC(=O)CSc1ncc2ccccn12)C1CC1
InChIInChI=1S/C15H16N4OS/c1-15(10-16,11-5-6-11)18-13(20)9-21-14-17-8-12-4-2-3-7-19(12)14/h2-4,7-8,11H,5-6,9H2,1H3,(H,18,20)
InChIKeyDYYWVRSVEVZCQY-UHFFFAOYSA-N
XLogP2.23
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 8024703
N-(1-cyano-1-cyclopropylethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4817306
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 43302045
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 43301359
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 78764782
N-(1-cyano-1-cyclopropylethyl)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51300399
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7449199
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889421
2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 112785564
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 78589384
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7845550
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 51140640

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (CID 51141565) is N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is CC(C#N)(NC(=O)CSc1ncc2ccccn12)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The InChIKey is DYYWVRSVEVZCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-15(10-16,11-5-6-11)18-13(20)9-21-14-17-8-12-4-2-3-7-19(12)14/h2-4,7-8,11H,5-6,9H2,1H3,(H,18,20).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide has a molecular weight of 300.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is sourced from PubChem (CID 51141565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).