3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide

C21H25N3O5 — CID 155910146

IUPAC3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide
SMILESCOCC(=O)N1CCc2ncc(CNC(=O)c3ccc(OC)c(OC)c3)cc2C1
InChIInChI=1S/C21H25N3O5/c1-27-13-20(25)24-7-6-17-16(12-24)8-14(10-22-17)11-23-21(26)15-4-5-18(28-2)19(9-15)29-3/h4-5,8-10H,6-7,11-13H2,1-3H3,(H,23,26)
InChIKeyUBYFALYEBCLDAZ-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.56
Rot. Bonds7

About 3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide

3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide (PubChem CID 155910146) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide
PubChem CID155910146
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide
SMILESCOCC(=O)N1CCc2ncc(CNC(=O)c3ccc(OC)c(OC)c3)cc2C1
InChIInChI=1S/C21H25N3O5/c1-27-13-20(25)24-7-6-17-16(12-24)8-14(10-22-17)11-23-21(26)15-4-5-18(28-2)19(9-15)29-3/h4-5,8-10H,6-7,11-13H2,1-3H3,(H,23,26)
InChIKeyUBYFALYEBCLDAZ-UHFFFAOYSA-N
XLogP1.56
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide with MolForge

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4-dimethoxybenzamide
CID 110371011
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-benzyl-5-[2-(3,4-dimethoxyphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075959
2-(4-acetyl-2-methoxyphenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 24681035
2-amino-6-(2-methoxyacetyl)-N-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 92620838
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyacetyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 155995230
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51160588
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide (CID 155910146) is 3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide is COCC(=O)N1CCc2ncc(CNC(=O)c3ccc(OC)c(OC)c3)cc2C1.
What is the InChIKey of 3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide?
The InChIKey is UBYFALYEBCLDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-27-13-20(25)24-7-6-17-16(12-24)8-14(10-22-17)11-23-21(26)15-4-5-18(28-2)19(9-15)29-3/h4-5,8-10H,6-7,11-13H2,1-3H3,(H,23,26).
What are the key properties of 3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide?
3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 155910146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).