N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide

C20H18FN3O2 — CID 151247980

IUPACN-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
SMILESCC=CCOc1cccc(NC(=O)c2nc3cccnc3cc2C)c1F
InChIInChI=1S/C20H18FN3O2/c1-3-4-11-26-17-9-5-7-15(18(17)21)24-20(25)19-13(2)12-16-14(23-19)8-6-10-22-16/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyNRSCAPOOLQVIID-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.28
Rot. Bonds5

About N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide

N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide (PubChem CID 151247980) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
PubChem CID151247980
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
SMILESCC=CCOc1cccc(NC(=O)c2nc3cccnc3cc2C)c1F
InChIInChI=1S/C20H18FN3O2/c1-3-4-11-26-17-9-5-7-15(18(17)21)24-20(25)19-13(2)12-16-14(23-19)8-6-10-22-16/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyNRSCAPOOLQVIID-UHFFFAOYSA-N
XLogP4.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151188175
N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151776276
N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide
CID 143837278
3-methyl-N-(3-phenoxyphenyl)-1,5-naphthyridine-2-carboxamide
CID 150166666
3-[(E)-but-2-enoxy]-2-fluoro-N-methylaniline
CID 68777440
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
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide
CID 150972391
2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843405
N-(2-fluoro-3-hydroxyphenyl)-3-hydroxypyridine-2-carboxamide
CID 86817229

Frequently Asked Questions

What is the IUPAC name of N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide (CID 151247980) is N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide is CC=CCOc1cccc(NC(=O)c2nc3cccnc3cc2C)c1F.
What is the InChIKey of N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
The InChIKey is NRSCAPOOLQVIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-3-4-11-26-17-9-5-7-15(18(17)21)24-20(25)19-13(2)12-16-14(23-19)8-6-10-22-16/h3-10,12H,11H2,1-2H3,(H,24,25).
What are the key properties of N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide?
N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 151247980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).