2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide

C21H26FN3O3 — CID 150214982

IUPAC2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide
SMILESC=CCCCCOc1cccc(NC(=O)c2cc(C)c(COC)nc2N)c1F
InChIInChI=1S/C21H26FN3O3/c1-4-5-6-7-11-28-18-10-8-9-16(19(18)22)25-21(26)15-12-14(2)17(13-27-3)24-20(15)23/h4,8-10,12H,1,5-7,11,13H2,2-3H3,(H2,23,24)(H,25,26)
InChIKeyFSHBMBIEONVYLC-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.25
Rot. Bonds10

About 2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide

2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide (PubChem CID 150214982) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide
PubChem CID150214982
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide
SMILESC=CCCCCOc1cccc(NC(=O)c2cc(C)c(COC)nc2N)c1F
InChIInChI=1S/C21H26FN3O3/c1-4-5-6-7-11-28-18-10-8-9-16(19(18)22)25-21(26)15-12-14(2)17(13-27-3)24-20(15)23/h4,8-10,12H,1,5-7,11,13H2,2-3H3,(H2,23,24)(H,25,26)
InChIKeyFSHBMBIEONVYLC-UHFFFAOYSA-N
XLogP4.25
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68732465
2-amino-N-(3-but-3-enoxy-2-fluorophenyl)-4-methylpyridine-3-carboxamide
CID 174610701
2-amino-N-(3-hept-4-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide
CID 152720757
2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide
CID 150972391
2-amino-N-[(2-fluoro-3-hept-6-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843382
N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68988013
2-amino-N-[(2-fluoro-3-hept-5-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66844010
N-[2-fluoro-3-(3-methoxypropoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68987630
N-(2-fluoro-3-oct-3-enoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151188175
2-amino-N-[(2-fluoro-3-hex-4-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843815
N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151776276
N-(2-fluoro-3-propoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 172800246

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide (CID 150214982) is 2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide is C=CCCCCOc1cccc(NC(=O)c2cc(C)c(COC)nc2N)c1F.
What is the InChIKey of 2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide?
The InChIKey is FSHBMBIEONVYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-4-5-6-7-11-28-18-10-8-9-16(19(18)22)25-21(26)15-12-14(2)17(13-27-3)24-20(15)23/h4,8-10,12H,1,5-7,11,13H2,2-3H3,(H2,23,24)(H,25,26).
What are the key properties of 2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide?
2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoro-3-hex-5-enoxyphenyl)-6-(methoxymethyl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 150214982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).