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

C20H18FN3O2 — CID 143837278

IUPACN-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide
SMILESC/C=C/COc1cccc(CNC(=O)c2ccc3ncccc3n2)c1F
InChIInChI=1S/C20H18FN3O2/c1-2-3-12-26-18-8-4-6-14(19(18)21)13-23-20(25)17-10-9-15-16(24-17)7-5-11-22-15/h2-11H,12-13H2,1H3,(H,23,25)/b3-2+
InChIKeyDUSCSPCYXNEYHC-NSCUHMNNSA-N
MW351.38 g/mol
LogP3.65
Rot. Bonds6

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

N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide (PubChem CID 143837278) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide
PubChem CID143837278
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide
SMILESC/C=C/COc1cccc(CNC(=O)c2ccc3ncccc3n2)c1F
InChIInChI=1S/C20H18FN3O2/c1-2-3-12-26-18-8-4-6-14(19(18)21)13-23-20(25)17-10-9-15-16(24-17)7-5-11-22-15/h2-11H,12-13H2,1H3,(H,23,25)/b3-2+
InChIKeyDUSCSPCYXNEYHC-NSCUHMNNSA-N
XLogP3.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.65
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

2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843405
N-[(2-fluoro-3-oct-6-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734840
N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733437
N-(3-but-2-enoxy-2-fluorophenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151247980
N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-1,5-naphthyridine-2-carbothioamide
CID 59192232
2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843035
N-[[3-(2-fluorophenoxy)phenyl]methyl]-1,5-naphthyridine-2-carboxamide
CID 59192219
2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843707
2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844331
2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 66843496
2-amino-N-[(2-fluoro-3-pent-3-enoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 66843780
N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192109

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide (CID 143837278) is N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide is C/C=C/COc1cccc(CNC(=O)c2ccc3ncccc3n2)c1F.
What is the InChIKey of N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide?
The InChIKey is DUSCSPCYXNEYHC-NSCUHMNNSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-2-3-12-26-18-8-4-6-14(19(18)21)13-23-20(25)17-10-9-15-16(24-17)7-5-11-22-15/h2-11H,12-13H2,1H3,(H,23,25)/b3-2+.
What are the key properties of N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide?
N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 143837278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).