2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide

C18H19F2N3O2 — CID 66844331

IUPAC2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCC/C=C/COc1cccc(CNC(=O)c2ccc(F)nc2N)c1F
InChIInChI=1S/C18H19F2N3O2/c1-2-3-4-10-25-14-7-5-6-12(16(14)20)11-22-18(24)13-8-9-15(19)23-17(13)21/h3-9H,2,10-11H2,1H3,(H2,21,23)(H,22,24)/b4-3+
InChIKeyHCXWYZNPKNDBFA-ONEGZZNKSA-N
MW347.37 g/mol
LogP3.22
Rot. Bonds7

About 2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide

2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66844331) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID66844331
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCC/C=C/COc1cccc(CNC(=O)c2ccc(F)nc2N)c1F
InChIInChI=1S/C18H19F2N3O2/c1-2-3-4-10-25-14-7-5-6-12(16(14)20)11-22-18(24)13-8-9-15(19)23-17(13)21/h3-9H,2,10-11H2,1H3,(H2,21,23)(H,22,24)/b4-3+
InChIKeyHCXWYZNPKNDBFA-ONEGZZNKSA-N
XLogP3.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide (CID 66844331) is 2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide is CC/C=C/COc1cccc(CNC(=O)c2ccc(F)nc2N)c1F.
What is the InChIKey of 2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is HCXWYZNPKNDBFA-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-2-3-4-10-25-14-7-5-6-12(16(14)20)11-22-18(24)13-8-9-15(19)23-17(13)21/h3-9H,2,10-11H2,1H3,(H2,21,23)(H,22,24)/b4-3+.
What are the key properties of 2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide?
2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66844331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).