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

C19H22N4O3S — CID 649938

IUPACN-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nc3cccnc3n2C)c1
InChIInChI=1S/C19H22N4O3S/c1-4-25-13-8-9-16(26-5-2)15(11-13)21-17(24)12-27-19-22-14-7-6-10-20-18(14)23(19)3/h6-11H,4-5,12H2,1-3H3,(H,21,24)
InChIKeyDPFRLQUOOVXBLR-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.50
Rot. Bonds8

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

N-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (PubChem CID 649938) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
PubChem CID649938
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nc3cccnc3n2C)c1
InChIInChI=1S/C19H22N4O3S/c1-4-25-13-8-9-16(26-5-2)15(11-13)21-17(24)12-27-19-22-14-7-6-10-20-18(14)23(19)3/h6-11H,4-5,12H2,1-3H3,(H,21,24)
InChIKeyDPFRLQUOOVXBLR-UHFFFAOYSA-N
XLogP3.50
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (CID 649938) is N-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is CCOc1ccc(OCC)c(NC(=O)CSc2nc3cccnc3n2C)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The InChIKey is DPFRLQUOOVXBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-4-25-13-8-9-16(26-5-2)15(11-13)21-17(24)12-27-19-22-14-7-6-10-20-18(14)23(19)3/h6-11H,4-5,12H2,1-3H3,(H,21,24).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
N-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide has a molecular weight of 386.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is sourced from PubChem (CID 649938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).