N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

C16H16N4O3S — CID 3260782

IUPACN-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1OC
InChIInChI=1S/C16H16N4O3S/c1-22-12-6-5-10(8-13(12)23-2)18-14(21)9-24-16-19-11-4-3-7-17-15(11)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyOPKZMXBIGLNFID-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.71
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 3260782) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID3260782
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1OC
InChIInChI=1S/C16H16N4O3S/c1-22-12-6-5-10(8-13(12)23-2)18-14(21)9-24-16-19-11-4-3-7-17-15(11)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyOPKZMXBIGLNFID-UHFFFAOYSA-N
XLogP2.71
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 3260782) is N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is COc1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is OPKZMXBIGLNFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-22-12-6-5-10(8-13(12)23-2)18-14(21)9-24-16-19-11-4-3-7-17-15(11)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 344.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 3260782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).