2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide

C21H20FN3O2 — CID 66843843

IUPAC2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
SMILESCCc1ccccc1Oc1ccc(CNC(=O)c2ccc(F)nc2N)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-15-5-3-4-6-18(15)27-16-9-7-14(8-10-16)13-24-21(26)17-11-12-19(22)25-20(17)23/h3-12H,2,13H2,1H3,(H2,23,25)(H,24,26)
InChIKeyMWMXIEMZLMODKC-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.09
Rot. Bonds6

About 2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide

2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide (PubChem CID 66843843) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
PubChem CID66843843
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
SMILESCCc1ccccc1Oc1ccc(CNC(=O)c2ccc(F)nc2N)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-15-5-3-4-6-18(15)27-16-9-7-14(8-10-16)13-24-21(26)17-11-12-19(22)25-20(17)23/h3-12H,2,13H2,1H3,(H2,23,25)(H,24,26)
InChIKeyMWMXIEMZLMODKC-UHFFFAOYSA-N
XLogP4.09
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-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

2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843564
2-amino-6-fluoro-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843134
2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104423
2-amino-6-fluoro-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104478
2-amino-N-[[4-[2-(2,2-dimethylpropyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843441
2-amino-6-fluoro-N-[[4-(3-pentan-3-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843737
2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843381
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653
2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844331
2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843992
2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843703

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide (CID 66843843) is 2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide is CCc1ccccc1Oc1ccc(CNC(=O)c2ccc(F)nc2N)cc1.
What is the InChIKey of 2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is MWMXIEMZLMODKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-2-15-5-3-4-6-18(15)27-16-9-7-14(8-10-16)13-24-21(26)17-11-12-19(22)25-20(17)23/h3-12H,2,13H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of 2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide?
2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 66843843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).