2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide

C20H24FN3O2 — CID 66843707

IUPAC2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCCCC=CCOc1cccc(CNC(=O)c2cccnc2N)c1F
InChIInChI=1S/C20H24FN3O2/c1-2-3-4-5-6-13-26-17-11-7-9-15(18(17)21)14-24-20(25)16-10-8-12-23-19(16)22/h5-12H,2-4,13-14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyOTKNZOWPXGFGOF-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.86
Rot. Bonds9

About 2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide

2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 66843707) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID66843707
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCCCC=CCOc1cccc(CNC(=O)c2cccnc2N)c1F
InChIInChI=1S/C20H24FN3O2/c1-2-3-4-5-6-13-26-17-11-7-9-15(18(17)21)14-24-20(25)16-10-8-12-23-19(16)22/h5-12H,2-4,13-14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyOTKNZOWPXGFGOF-UHFFFAOYSA-N
XLogP3.86
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
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

2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 66843496
N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733437
2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844331
2-amino-N-[(2-fluoro-3-hept-6-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843382
2-amino-6-fluoro-N-[(2-fluoro-3-hex-3-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843630
2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843405
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 66844233
2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843035
2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843381
2-amino-N-[(2-fluoro-3-hex-4-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843815
2-amino-N-[(2-fluoro-3-pent-3-enoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 66843780

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide (CID 66843707) is 2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide is CCCCC=CCOc1cccc(CNC(=O)c2cccnc2N)c1F.
What is the InChIKey of 2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is OTKNZOWPXGFGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-2-3-4-5-6-13-26-17-11-7-9-15(18(17)21)14-24-20(25)16-10-8-12-23-19(16)22/h5-12H,2-4,13-14H2,1H3,(H2,22,23)(H,24,25).
What are the key properties of 2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide?
2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).