N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide

C25H27N3O4S — CID 42437027

IUPACN-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCOc1cccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)Cc3ccsc3)C2)c1OC
InChIInChI=1S/C25H27N3O4S/c1-16-21(13-27-23(29)11-17-8-10-33-15-17)19-7-9-28(14-18(19)12-26-16)25(30)20-5-4-6-22(31-2)24(20)32-3/h4-6,8,10,12,15H,7,9,11,13-14H2,1-3H3,(H,27,29)
InChIKeyWMZQDBBKLKHMKU-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.53
Rot. Bonds7

About N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide

N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 42437027) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID42437027
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCOc1cccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)Cc3ccsc3)C2)c1OC
InChIInChI=1S/C25H27N3O4S/c1-16-21(13-27-23(29)11-17-8-10-33-15-17)19-7-9-28(14-18(19)12-26-16)25(30)20-5-4-6-22(31-2)24(20)32-3/h4-6,8,10,12,15H,7,9,11,13-14H2,1-3H3,(H,27,29)
InChIKeyWMZQDBBKLKHMKU-UHFFFAOYSA-N
XLogP3.53
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide (CID 42437027) is N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide is COc1cccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)Cc3ccsc3)C2)c1OC.
What is the InChIKey of N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is WMZQDBBKLKHMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-16-21(13-27-23(29)11-17-8-10-33-15-17)19-7-9-28(14-18(19)12-26-16)25(30)20-5-4-6-22(31-2)24(20)32-3/h4-6,8,10,12,15H,7,9,11,13-14H2,1-3H3,(H,27,29).
What are the key properties of N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 465.58 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 42437027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).