2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide

C24H24N4O3S2 — CID 1086288

IUPAC2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)cc1OC
InChIInChI=1S/C24H24N4O3S2/c1-28-9-8-18-17(13-28)23(21-5-4-10-32-21)16(12-25)24(27-18)33-14-22(29)26-15-6-7-19(30-2)20(11-15)31-3/h4-7,10-11H,8-9,13-14H2,1-3H3,(H,26,29)
InChIKeyXGEONKMITIKAFN-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.42
Rot. Bonds7

About 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide

2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 1086288) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID1086288
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC Name2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)cc1OC
InChIInChI=1S/C24H24N4O3S2/c1-28-9-8-18-17(13-28)23(21-5-4-10-32-21)16(12-25)24(27-18)33-14-22(29)26-15-6-7-19(30-2)20(11-15)31-3/h4-7,10-11H,8-9,13-14H2,1-3H3,(H,26,29)
InChIKeyXGEONKMITIKAFN-UHFFFAOYSA-N
XLogP4.42
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide (CID 1086288) is 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)cc1OC.
What is the InChIKey of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is XGEONKMITIKAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-28-9-8-18-17(13-28)23(21-5-4-10-32-21)16(12-25)24(27-18)33-14-22(29)26-15-6-7-19(30-2)20(11-15)31-3/h4-7,10-11H,8-9,13-14H2,1-3H3,(H,26,29).
What are the key properties of 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 480.62 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1086288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).