2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide

C19H18ClN5OS — CID 7624375

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C19H18ClN5OS/c1-12-6-13(2)8-15(7-12)25(5-3-4-21)17(26)11-27-19-23-16-9-14(20)10-22-18(16)24-19/h6-10H,3,5,11H2,1-2H3,(H,22,23,24)
InChIKeyZZVRGIOWDGVGBB-UHFFFAOYSA-N
MW399.91 g/mol
LogP4.27
Rot. Bonds6

About 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 7624375) has the molecular formula C19H18ClN5OS and a molecular weight of 399.91 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID7624375
Molecular FormulaC19H18ClN5OS
Molecular Weight399.91 g/mol
Exact Mass399.09
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C19H18ClN5OS/c1-12-6-13(2)8-15(7-12)25(5-3-4-21)17(26)11-27-19-23-16-9-14(20)10-22-18(16)24-19/h6-10H,3,5,11H2,1-2H3,(H,22,23,24)
InChIKeyZZVRGIOWDGVGBB-UHFFFAOYSA-N
XLogP4.27
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide (CID 7624375) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3ncc(Cl)cc3[nH]2)c1.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is ZZVRGIOWDGVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5OS/c1-12-6-13(2)8-15(7-12)25(5-3-4-21)17(26)11-27-19-23-16-9-14(20)10-22-18(16)24-19/h6-10H,3,5,11H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 399.91 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 7624375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).