N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C20H21N3O3 — CID 4075939

IUPACN-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-4-23-12-17(18(24)16-11-6-13(3)21-19(16)23)20(25)22-14-7-9-15(10-8-14)26-5-2/h6-12H,4-5H2,1-3H3,(H,22,25)
InChIKeyHEXOENCAENLVLU-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.38
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 4075939) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID4075939
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-4-23-12-17(18(24)16-11-6-13(3)21-19(16)23)20(25)22-14-7-9-15(10-8-14)26-5-2/h6-12H,4-5H2,1-3H3,(H,22,25)
InChIKeyHEXOENCAENLVLU-UHFFFAOYSA-N
XLogP3.38
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 4075939) is N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is HEXOENCAENLVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-23-12-17(18(24)16-11-6-13(3)21-19(16)23)20(25)22-14-7-9-15(10-8-14)26-5-2/h6-12H,4-5H2,1-3H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 4075939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).