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

C24H26FN3O2 — CID 151188175

IUPACN-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
SMILESCCCCC=CCCOc1cccc(NC(=O)c2nc3cccnc3cc2C)c1F
InChIInChI=1S/C24H26FN3O2/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/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,28,29)
InChIKeyNFTFGQXEDYGUQN-UHFFFAOYSA-N
MW407.49 g/mol
LogP5.84
Rot. Bonds9

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

N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide (PubChem CID 151188175) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
PubChem CID151188175
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC NameN-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
SMILESCCCCC=CCCOc1cccc(NC(=O)c2nc3cccnc3cc2C)c1F
InChIInChI=1S/C24H26FN3O2/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/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,28,29)
InChIKeyNFTFGQXEDYGUQN-UHFFFAOYSA-N
XLogP5.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-3-propoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 172800246
N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151247980
N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151776276
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
CID 143859417
N-(2-fluoro-3-hept-2-enoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986218
3-methyl-N-(3-phenoxyphenyl)-1,5-naphthyridine-2-carboxamide
CID 150166666
N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733437
2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide
CID 174610701
N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68732465
2-fluoro-3-hept-2-enoxy-N-methylaniline
CID 68733261
4-butoxy-N-quinolin-5-ylbenzamide
CID 3982301
2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide
CID 150214982

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide (CID 151188175) is N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide is CCCCC=CCCOc1cccc(NC(=O)c2nc3cccnc3cc2C)c1F.
What is the InChIKey of N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
The InChIKey is NFTFGQXEDYGUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/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/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,28,29).
What are the key properties of N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 5.84, 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-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 151188175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).