N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide

C16H16N4O2S — CID 3214193

IUPACN-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3cccnc3n2C)cc1
InChIInChI=1S/C16H16N4O2S/c1-20-15-13(4-3-9-17-15)19-16(20)23-10-14(21)18-11-5-7-12(22-2)8-6-11/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyZZVXNVSWBRRRKW-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.71
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide

N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (PubChem CID 3214193) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
PubChem CID3214193
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3cccnc3n2C)cc1
InChIInChI=1S/C16H16N4O2S/c1-20-15-13(4-3-9-17-15)19-16(20)23-10-14(21)18-11-5-7-12(22-2)8-6-11/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyZZVXNVSWBRRRKW-UHFFFAOYSA-N
XLogP2.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (CID 3214193) is N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3cccnc3n2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The InChIKey is ZZVXNVSWBRRRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-20-15-13(4-3-9-17-15)19-16(20)23-10-14(21)18-11-5-7-12(22-2)8-6-11/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide has a molecular weight of 328.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3214193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).