2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide

C18H20FN3O2 — CID 66843405

IUPAC2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
SMILESC/C=C/COc1cccc(CNC(=O)c2ccc(C)nc2N)c1F
InChIInChI=1S/C18H20FN3O2/c1-3-4-10-24-15-7-5-6-13(16(15)19)11-21-18(23)14-9-8-12(2)22-17(14)20/h3-9H,10-11H2,1-2H3,(H2,20,22)(H,21,23)/b4-3+
InChIKeyJYXZLOKXLBVZNJ-ONEGZZNKSA-N
MW329.38 g/mol
LogP3.00
Rot. Bonds6

About 2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide

2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 66843405) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID66843405
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
SMILESC/C=C/COc1cccc(CNC(=O)c2ccc(C)nc2N)c1F
InChIInChI=1S/C18H20FN3O2/c1-3-4-10-24-15-7-5-6-13(16(15)19)11-21-18(23)14-9-8-12(2)22-17(14)20/h3-9H,10-11H2,1-2H3,(H2,20,22)(H,21,23)/b4-3+
InChIKeyJYXZLOKXLBVZNJ-ONEGZZNKSA-N
XLogP3.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
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-[(2-fluoro-3-pent-3-enoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 66843780
2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843035
2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 66844233
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-hex-4-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843815
2-amino-N-[(2-fluoro-3-hept-5-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66844010
2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843381
2-amino-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide;formaldehyde
CID 158871409
2-amino-6-fluoro-N-[(2-fluoro-3-hex-3-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843630
2,6-diamino-N-[(2-fluoro-3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104467
2-amino-N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843707
N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-1,5-naphthyridine-2-carboxamide
CID 143837278

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide (CID 66843405) is 2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide is C/C=C/COc1cccc(CNC(=O)c2ccc(C)nc2N)c1F.
What is the InChIKey of 2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is JYXZLOKXLBVZNJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-3-4-10-24-15-7-5-6-13(16(15)19)11-21-18(23)14-9-8-12(2)22-17(14)20/h3-9H,10-11H2,1-2H3,(H2,20,22)(H,21,23)/b4-3+.
What are the key properties of 2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide?
2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 66843405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).