N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide

C24H24FN3O2 — CID 151776276

IUPACN-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
SMILESC#CCCCCCCOc1cccc(NC(=O)c2nc3cccnc3cc2C)c1F
InChIInChI=1S/C24H24FN3O2/c1-3-4-5-6-7-8-15-30-21-13-9-11-19(22(21)25)28-24(29)23-17(2)16-20-18(27-23)12-10-14-26-20/h1,9-14,16H,4-8,15H2,2H3,(H,28,29)
InChIKeyRTQJXCGXEWVXKB-UHFFFAOYSA-N
MW405.47 g/mol
LogP5.29
Rot. Bonds9

About N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide

N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide (PubChem CID 151776276) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
PubChem CID151776276
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
SMILESC#CCCCCCCOc1cccc(NC(=O)c2nc3cccnc3cc2C)c1F
InChIInChI=1S/C24H24FN3O2/c1-3-4-5-6-7-8-15-30-21-13-9-11-19(22(21)25)28-24(29)23-17(2)16-20-18(27-23)12-10-14-26-20/h1,9-14,16H,4-8,15H2,2H3,(H,28,29)
InChIKeyRTQJXCGXEWVXKB-UHFFFAOYSA-N
XLogP5.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-3-propoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 172800246
N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151188175
N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151247980
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
CID 143859417
N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 87552866
3-methyl-N-(3-phenoxyphenyl)-1,5-naphthyridine-2-carboxamide
CID 150166666
N-(2-fluoro-3-hept-5-ynoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986624
N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68988013
2-(18F)fluoro-3-hex-5-ynoxypyridine
CID 25194435
N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68734401
2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide
CID 150972391
N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68732465

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide (CID 151776276) is N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide is C#CCCCCCCOc1cccc(NC(=O)c2nc3cccnc3cc2C)c1F.
What is the InChIKey of N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
The InChIKey is RTQJXCGXEWVXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-3-4-5-6-7-8-15-30-21-13-9-11-19(22(21)25)28-24(29)23-17(2)16-20-18(27-23)12-10-14-26-20/h1,9-14,16H,4-8,15H2,2H3,(H,28,29).
What are the key properties of N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 151776276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).