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

C29H34FN3O4 — CID 146575597

IUPACN-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
SMILESCCNC(=O)N1CCc2c(n(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cc(C)c2=O)C1
InChIInChI=1S/C29H34FN3O4/c1-7-31-28(35)32-11-10-22-24(16-32)33(15-19(4)26(22)34)23-14-20(29(5,6)36)8-9-25(23)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)
InChIKeyMEJPIVCEESPSGU-UHFFFAOYSA-N
MW507.61 g/mol
LogP5.01
Rot. Bonds5

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

N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide (PubChem CID 146575597) 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-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
PubChem CID146575597
Molecular FormulaC29H34FN3O4
Molecular Weight507.61 g/mol
Exact Mass507.25
IUPAC NameN-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
SMILESCCNC(=O)N1CCc2c(n(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cc(C)c2=O)C1
InChIInChI=1S/C29H34FN3O4/c1-7-31-28(35)32-11-10-22-24(16-32)33(15-19(4)26(22)34)23-14-20(29(5,6)36)8-9-25(23)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)
InChIKeyMEJPIVCEESPSGU-UHFFFAOYSA-N
XLogP5.01
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The IUPAC name of N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide (CID 146575597) is N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-6,8-dihydro-5H-1,7-naphthyridine-7-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-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The canonical SMILES for N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide is CCNC(=O)N1CCc2c(n(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cc(C)c2=O)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-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The InChIKey is MEJPIVCEESPSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O4/c1-7-31-28(35)32-11-10-22-24(16-32)33(15-19(4)26(22)34)23-14-20(29(5,6)36)8-9-25(23)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-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-6,8-dihydro-5H-1,7-naphthyridine-7-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-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide is sourced from PubChem (CID 146575597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).