N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide

C24H21N3O5 — CID 20929775

IUPACN-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1cccc(C(=O)c2cn(CC(=O)NCc3ccco3)c3nc(C)ccc3c2=O)c1
InChIInChI=1S/C24H21N3O5/c1-15-8-9-19-23(30)20(22(29)16-5-3-6-17(11-16)31-2)13-27(24(19)26-15)14-21(28)25-12-18-7-4-10-32-18/h3-11,13H,12,14H2,1-2H3,(H,25,28)
InChIKeyYQKUYRJUNJMGBX-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.85
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (PubChem CID 20929775) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
PubChem CID20929775
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1cccc(C(=O)c2cn(CC(=O)NCc3ccco3)c3nc(C)ccc3c2=O)c1
InChIInChI=1S/C24H21N3O5/c1-15-8-9-19-23(30)20(22(29)16-5-3-6-17(11-16)31-2)13-27(24(19)26-15)14-21(28)25-12-18-7-4-10-32-18/h3-11,13H,12,14H2,1-2H3,(H,25,28)
InChIKeyYQKUYRJUNJMGBX-UHFFFAOYSA-N
XLogP2.85
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (CID 20929775) is N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is COc1cccc(C(=O)c2cn(CC(=O)NCc3ccco3)c3nc(C)ccc3c2=O)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The InChIKey is YQKUYRJUNJMGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-15-8-9-19-23(30)20(22(29)16-5-3-6-17(11-16)31-2)13-27(24(19)26-15)14-21(28)25-12-18-7-4-10-32-18/h3-11,13H,12,14H2,1-2H3,(H,25,28).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 431.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 20929775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).