2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide

C20H19N3O3 — CID 176957412

IUPAC2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCCC=O)c3cccnc3n2)cc1
InChIInChI=1S/C20H19N3O3/c1-2-26-15-8-6-14(7-9-15)18-13-17(20(25)22-11-4-12-24)16-5-3-10-21-19(16)23-18/h3,5-10,12-13H,2,4,11H2,1H3,(H,22,25)
InChIKeyPAWVHEKHTWUBLN-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.01
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide

2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide (PubChem CID 176957412) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide
PubChem CID176957412
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCCC=O)c3cccnc3n2)cc1
InChIInChI=1S/C20H19N3O3/c1-2-26-15-8-6-14(7-9-15)18-13-17(20(25)22-11-4-12-24)16-5-3-10-21-19(16)23-18/h3,5-10,12-13H,2,4,11H2,1H3,(H,22,25)
InChIKeyPAWVHEKHTWUBLN-UHFFFAOYSA-N
XLogP3.01
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide (CID 176957412) is 2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NCCC=O)c3cccnc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide?
The InChIKey is PAWVHEKHTWUBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-26-15-8-6-14(7-9-15)18-13-17(20(25)22-11-4-12-24)16-5-3-10-21-19(16)23-18/h3,5-10,12-13H,2,4,11H2,1H3,(H,22,25).
What are the key properties of 2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide?
2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(3-oxopropyl)-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 176957412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).