N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C29H34FN3O4 — CID 146575758

About N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146575758) has the molecular formula C29H34FN3O4 and a molecular weight of 507.61 g/mol. Its IUPAC name is N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
• PubChem CID: 146575758
• Molecular Formula: C29H34FN3O4
• Molecular Weight: 507.61 g/mol
• Exact Mass: 507.25
• IUPAC Name: N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
• SMILES: CCNC(=O)N1CCc2c(c(=O)c(C)cn2-c2cc(C(C)(C)O)ccc2Oc2c(C)cc(F)cc2C)C1
• InChI: InChI=1S/C29H34FN3O4/c1-7-31-28(35)32-11-10-23-22(16-32)26(34)19(4)15-33(23)24-14-20(29(5,6)36)8-9-25(24)37-27-17(2)12-21(30)13-18(27)3/h8-9,12-15,36H,7,10-11,16H2,1-6H3,(H,31,35)
• InChIKey: BXNLOXMLLLUNNQ-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 83.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.61
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?

The IUPAC name of N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146575758) is N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

What is the SMILES notation for N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?

The canonical SMILES for N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is CCNC(=O)N1CCc2c(c(=O)c(C)cn2-c2cc(C(C)(C)O)ccc2Oc2c(C)cc(F)cc2C)C1.

What is the InChIKey of N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?

The InChIKey is BXNLOXMLLLUNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O4/c1-7-31-28(35)32-11-10-23-22(16-32)26(34)19(4)15-33(23)24-14-20(29(5,6)36)8-9-25(24)37-27-17(2)12-21(30)13-18(27)3/h8-9,12-15,36H,7,10-11,16H2,1-6H3,(H,31,35).

What are the key properties of N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?

N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 507.61 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146575758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).