1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide

C26H29N3O3 — CID 166831475

IUPAC1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NC2CCC3(CC2)CC3)cc2cc(-c3ccc(OC)cc3)cnc21
InChIInChI=1S/C26H29N3O3/c1-3-29-23-18(14-19(16-27-23)17-4-6-21(32-2)7-5-17)15-22(25(29)31)24(30)28-20-8-10-26(11-9-20)12-13-26/h4-7,14-16,20H,3,8-13H2,1-2H3,(H,28,30)
InChIKeyRRSHFOCSLXSXAH-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.54
Rot. Bonds5

About 1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide

1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 166831475) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide
PubChem CID166831475
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NC2CCC3(CC2)CC3)cc2cc(-c3ccc(OC)cc3)cnc21
InChIInChI=1S/C26H29N3O3/c1-3-29-23-18(14-19(16-27-23)17-4-6-21(32-2)7-5-17)15-22(25(29)31)24(30)28-20-8-10-26(11-9-20)12-13-26/h4-7,14-16,20H,3,8-13H2,1-2H3,(H,28,30)
InChIKeyRRSHFOCSLXSXAH-UHFFFAOYSA-N
XLogP4.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide (CID 166831475) is 1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide is CCn1c(=O)c(C(=O)NC2CCC3(CC2)CC3)cc2cc(-c3ccc(OC)cc3)cnc21.
What is the InChIKey of 1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is RRSHFOCSLXSXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-29-23-18(14-19(16-27-23)17-4-6-21(32-2)7-5-17)15-22(25(29)31)24(30)28-20-8-10-26(11-9-20)12-13-26/h4-7,14-16,20H,3,8-13H2,1-2H3,(H,28,30).
What are the key properties of 1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide?
1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(4-methoxyphenyl)-2-oxo-N-spiro[2.5]octan-6-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).