3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide

C17H17N3OS — CID 51091010

IUPAC3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CSc2ncc3ccccn23)c1
InChIInChI=1S/C17H17N3OS/c1-19(2)16(21)14-7-5-6-13(10-14)12-22-17-18-11-15-8-3-4-9-20(15)17/h3-11H,12H2,1-2H3
InChIKeyACPBKEDQTJEQSS-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.33
Rot. Bonds4

About 3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide

3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide (PubChem CID 51091010) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide
PubChem CID51091010
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CSc2ncc3ccccn23)c1
InChIInChI=1S/C17H17N3OS/c1-19(2)16(21)14-7-5-6-13(10-14)12-22-17-18-11-15-8-3-4-9-20(15)17/h3-11H,12H2,1-2H3
InChIKeyACPBKEDQTJEQSS-UHFFFAOYSA-N
XLogP3.33
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluorophenyl)methylsulfanyl]imidazo[1,5-a]pyridine bromide
CID 45108675
N,N-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 75505415
N-benzyl-N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzamide
CID 39074569
7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline
CID 166359625
3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide
CID 47068537
3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethylbenzamide
CID 51091008
N,N-dimethyl-3-[(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzamide
CID 55988670
3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide
CID 51124121
3-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide
CID 71888264
3-[[4-benzyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethylbenzamide
CID 55980174
3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide
CID 55989182
N,N-dimethyl-3-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide
CID 55989183

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide (CID 51091010) is 3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CSc2ncc3ccccn23)c1.
What is the InChIKey of 3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide?
The InChIKey is ACPBKEDQTJEQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-19(2)16(21)14-7-5-6-13(10-14)12-22-17-18-11-15-8-3-4-9-20(15)17/h3-11H,12H2,1-2H3.
What are the key properties of 3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide?
3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide has a molecular weight of 311.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 51091010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).